4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole

C157H182N22O4S4 — CID 158734540

IUPAC4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-c2cccc(O)c2)cc1.CC(C)c1ccc(-n2cnnn2)cc1-n1cccn1.CC(C)c1ccc(N2CCNC2=O)cc1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc(N)ccc2c1.CC(C)c1cccc(C2=CCN=C2)c1.CCN1C(=O)CSc2ccc(C(C)C)cc21.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.Cc1cc(-c2ncc(C(C)C)s2)ccn1.Cc1ccncc1-c1ncc(C(C)C)s1.Cc1cncc(-c2ncc(C(C)C)s2)c1.Cc1nc2cnccc2n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17N3.C15H17N.C15H16O.C13H14N6.C13H17NOS.2C13H15N.C12H16N2O.3C12H14N2S.C11H13NO/c1-11(2)13-4-6-14(7-5-13)19-12(3)18-15-10-17-9-8-16(15)19;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14;1-10(2)12-5-4-11(19-9-14-16-17-19)8-13(12)18-7-3-6-15-18;1-4-14-11-7-10(9(2)3)5-6-12(11)16-8-13(14)15;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)14-8-7-13-12(14)15;1-8(2)11-7-14-12(15-11)10-4-9(3)5-13-6-10;1-8(2)11-7-14-12(15-11)10-4-5-13-9(3)6-10;1-8(2)11-7-14-12(15-11)10-6-13-5-4-9(10)3;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10/h4-11H,1-3H3;4-11H,1-3H3;3-11,16H,1-2H3;3-10H,1-2H3;5-7,9H,4,8H2,1-3H3;3-9H,14H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3,(H,13,15);3*4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyILMZWYAWVSNEHZ-UHFFFAOYSA-N
MW2569.60 g/mol
LogP39.83
Rot. Bonds23

About 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole

4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole (PubChem CID 158734540) has the molecular formula C157H182N22O4S4 and a molecular weight of 2569.60 g/mol. Its IUPAC name is 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole.

Molecular Properties

Compound Name4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
PubChem CID158734540
Molecular FormulaC157H182N22O4S4
Molecular Weight2569.60 g/mol
Exact Mass2567.36
IUPAC Name4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-c2cccc(O)c2)cc1.CC(C)c1ccc(-n2cnnn2)cc1-n1cccn1.CC(C)c1ccc(N2CCNC2=O)cc1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc(N)ccc2c1.CC(C)c1cccc(C2=CCN=C2)c1.CCN1C(=O)CSc2ccc(C(C)C)cc21.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.Cc1cc(-c2ncc(C(C)C)s2)ccn1.Cc1ccncc1-c1ncc(C(C)C)s1.Cc1cncc(-c2ncc(C(C)C)s2)c1.Cc1nc2cnccc2n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17N3.C15H17N.C15H16O.C13H14N6.C13H17NOS.2C13H15N.C12H16N2O.3C12H14N2S.C11H13NO/c1-11(2)13-4-6-14(7-5-13)19-12(3)18-15-10-17-9-8-16(15)19;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14;1-10(2)12-5-4-11(19-9-14-16-17-19)8-13(12)18-7-3-6-15-18;1-4-14-11-7-10(9(2)3)5-6-12(11)16-8-13(14)15;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)14-8-7-13-12(14)15;1-8(2)11-7-14-12(15-11)10-4-9(3)5-13-6-10;1-8(2)11-7-14-12(15-11)10-4-5-13-9(3)6-10;1-8(2)11-7-14-12(15-11)10-6-13-5-4-9(10)3;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10/h4-11H,1-3H3;4-11H,1-3H3;3-11,16H,1-2H3;3-10H,1-2H3;5-7,9H,4,8H2,1-3H3;3-9H,14H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3,(H,13,15);3*4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyILMZWYAWVSNEHZ-UHFFFAOYSA-N
XLogP39.83
TPSA322.72 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.60
LogP ≤ 539.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole with MolForge

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Related Compounds

3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;N-[6-[4-amino-1-[[2-(dimethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;6-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-2-amine
CID 157458672
ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
CID 159014974
3-[[4-Amino-3-(2-aminoquinolin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one;3-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one;1-[6-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]-3-methylurea
CID 159189556
6-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 159193811
3-[4-amino-1-[1-(2-pyrrolidin-1-ylquinolin-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]benzamide;N-[6-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[3-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide
CID 160879935
3-[[4-Amino-3-[3-(aminomethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[4,5-c]pyridin-4-one;7-[(6-aminopurin-9-yl)methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 160899424
ethane;3-methylidene-7-propan-2-yl-4H-chromene;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylindolizine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
CID 161645986
3-[[4-Amino-3-[3-(aminomethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;6-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-methyl-5-(2-methylphenyl)-[1,2]thiazolo[5,4-d]pyrimidin-4-one;7-[(6-aminopurin-9-yl)methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;2-[(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-3-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 161799968
CID 161822366
CID 161822366

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
The IUPAC name of 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole (CID 158734540) is 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole.
What is the SMILES notation for 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
The canonical SMILES for 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole is CC(C)c1ccc(-c2cccc(O)c2)cc1.CC(C)c1ccc(-n2cnnn2)cc1-n1cccn1.CC(C)c1ccc(N2CCNC2=O)cc1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc(N)ccc2c1.CC(C)c1cccc(C2=CCN=C2)c1.CCN1C(=O)CSc2ccc(C(C)C)cc21.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.Cc1cc(-c2ncc(C(C)C)s2)ccn1.Cc1ccncc1-c1ncc(C(C)C)s1.Cc1cncc(-c2ncc(C(C)C)s2)c1.Cc1nc2cnccc2n1-c1ccc(C(C)C)cc1.
What is the InChIKey of 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
The InChIKey is ILMZWYAWVSNEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.C15H17N.C15H16O.C13H14N6.C13H17NOS.2C13H15N.C12H16N2O.3C12H14N2S.C11H13NO/c1-11(2)13-4-6-14(7-5-13)19-12(3)18-15-10-17-9-8-16(15)19;1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14;1-10(2)12-5-4-11(19-9-14-16-17-19)8-13(12)18-7-3-6-15-18;1-4-14-11-7-10(9(2)3)5-6-12(11)16-8-13(14)15;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)14-8-7-13-12(14)15;1-8(2)11-7-14-12(15-11)10-4-9(3)5-13-6-10;1-8(2)11-7-14-12(15-11)10-4-5-13-9(3)6-10;1-8(2)11-7-14-12(15-11)10-6-13-5-4-9(10)3;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10/h4-11H,1-3H3;4-11H,1-3H3;3-11,16H,1-2H3;3-10H,1-2H3;5-7,9H,4,8H2,1-3H3;3-9H,14H2,1-2H3;3-6,8-10H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3,(H,13,15);3*4-8H,1-3H3;3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole has a molecular weight of 2569.60 g/mol, XLogP of 39.83, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-4-(4-propan-2-ylphenyl)pyridine;2-(2-methyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(4-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;2-(5-methyl-3-pyridinyl)-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole is sourced from PubChem (CID 158734540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).