6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane

C218H322N34O3S3 — CID 158600204

IUPAC6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH]ncc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2cnc(N)cc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2cnncc2c1.CC(C)(C)c1nc2ccncc2s1.CNc1cc2cc(C(C)(C)C)ccc2cn1.CNc1n[nH]c2ccc(C(C)(C)C)cc12.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cn1nc(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H18N2.C13H16N2.C13H17NO.C13H15N.2C12H17N3.C12H14N2O.C12H16N2.2C12H14N2.2C11H15N3.2C11H14N2.C11H13NOS.C11H13NS.C10H12N2S.17CH4/c1-14(2,3)12-6-5-10-9-16-13(15-4)8-11(10)7-12;1-13(2,3)11-5-4-9-8-15-12(14)7-10(9)6-11;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)8-5-6-10-9(7-8)11(13-4)15-14-10;1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;1-12(2,3)9-4-5-10-8(6-9)7-13-14-11(10)15;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-12(2,3)11-5-4-9-7-13-14-8-10(9)6-11;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;;;;;;;;;;;;;;;;;/h5-9H,1-4H3,(H,15,16);4-8H,1-3H3,(H2,14,15);5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;5-7H,1-4H3,(H2,13,14,15);5-7H,1-4H3,(H2,13,14);4-7H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-8H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;17*1H4
InChIKeyHVNRHCTYRRJNIJ-UHFFFAOYSA-N
MW3563.41 g/mol
LogP60.58
Rot. Bonds2

About 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane

6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane (PubChem CID 158600204) has the molecular formula C218H322N34O3S3 and a molecular weight of 3563.41 g/mol. Its IUPAC name is 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane.

Molecular Properties

Compound Name6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
PubChem CID158600204
Molecular FormulaC218H322N34O3S3
Molecular Weight3563.41 g/mol
Exact Mass3560.53
IUPAC Name6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH]ncc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2cnc(N)cc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2cnncc2c1.CC(C)(C)c1nc2ccncc2s1.CNc1cc2cc(C(C)(C)C)ccc2cn1.CNc1n[nH]c2ccc(C(C)(C)C)cc12.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cn1nc(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H18N2.C13H16N2.C13H17NO.C13H15N.2C12H17N3.C12H14N2O.C12H16N2.2C12H14N2.2C11H15N3.2C11H14N2.C11H13NOS.C11H13NS.C10H12N2S.17CH4/c1-14(2,3)12-6-5-10-9-16-13(15-4)8-11(10)7-12;1-13(2,3)11-5-4-9-8-15-12(14)7-10(9)6-11;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)8-5-6-10-9(7-8)11(13-4)15-14-10;1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;1-12(2,3)9-4-5-10-8(6-9)7-13-14-11(10)15;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-12(2,3)11-5-4-9-7-13-14-8-10(9)6-11;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;;;;;;;;;;;;;;;;;/h5-9H,1-4H3,(H,15,16);4-8H,1-3H3,(H2,14,15);5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;5-7H,1-4H3,(H2,13,14,15);5-7H,1-4H3,(H2,13,14);4-7H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-8H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;17*1H4
InChIKeyHVNRHCTYRRJNIJ-UHFFFAOYSA-N
XLogP60.58
TPSA554.65 Ų
H-Bond Donors15
H-Bond Acceptors31
Rotatable Bonds2
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003563.41
LogP ≤ 560.58
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1031

Analyze 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

(3,3-difluoroazetidin-1-yl)-[1-[[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)indol-4-yl]methyl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]indol-2-yl]methanone
CID 137387573
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159376429
3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159522818
9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 159544382
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
(5aR,6R,9aS)-3-anilino-8-isocyano-6,9a-dimethyl-1-(4-phenylphenyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-1-(1,3-benzothiazol-2-yl)-8-isocyano-6,9a-dimethyl-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-1-(1,3-benzothiazol-2-yl)-8-isocyano-6,9a-dimethyl-3-pyridin-3-yl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-8-isocyano-6,9a-dimethyl-3-phenyl-1-(5-phenyl-2-pyridinyl)-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one
CID 157190564
1-Methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
CID 157306332
7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 157453065
7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 157611614
5,7-difluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;7-fluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;7-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 157809550
N-[3-[4-(1H-indol-7-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;5-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]benzamide;5-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]thiophene-2-carboxamide;N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 157964236

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane?
The IUPAC name of 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane (CID 158600204) is 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane.
What is the SMILES notation for 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane?
The canonical SMILES for 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.CC(C)(C)c1ccc2[nH]nc(N)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH]ncc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2cnc(N)cc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2cnncc2c1.CC(C)(C)c1nc2ccncc2s1.CNc1cc2cc(C(C)(C)C)ccc2cn1.CNc1n[nH]c2ccc(C(C)(C)C)cc12.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cn1nc(N)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane?
The InChIKey is HVNRHCTYRRJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H16N2.C13H17NO.C13H15N.2C12H17N3.C12H14N2O.C12H16N2.2C12H14N2.2C11H15N3.2C11H14N2.C11H13NOS.C11H13NS.C10H12N2S.17CH4/c1-14(2,3)12-6-5-10-9-16-13(15-4)8-11(10)7-12;1-13(2,3)11-5-4-9-8-15-12(14)7-10(9)6-11;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)8-5-6-10-9(7-8)11(13-4)15-14-10;1-12(2,3)8-5-6-9-10(7-8)15(4)14-11(9)13;1-12(2,3)9-4-5-10-8(6-9)7-13-14-11(10)15;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-12(2,3)11-5-4-9-7-13-14-8-10(9)6-11;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;;;;;;;;;;;;;;;;;/h5-9H,1-4H3,(H,15,16);4-8H,1-3H3,(H2,14,15);5-6,8H,4,7H2,1-3H3,(H,14,15);4-9H,1-3H3;5-7H,1-4H3,(H2,13,14,15);5-7H,1-4H3,(H2,13,14);4-7H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-8H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3;17*1H4.
What are the key properties of 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane?
6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane has a molecular weight of 3563.41 g/mol, XLogP of 60.58, 2 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane is sourced from PubChem (CID 158600204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).