2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C80H112N22OS — CID 157434221

IUPAC2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1CCc2nc[nH]c2C1.CC(C)Cc1cn[nH]n1.CC(C)Cc1ncn[nH]1.CC(C)N1CCc2nc[nH]c2C1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1cnc2nc[nH]c2c1
InChIInChI=1S/C11H13NO.C11H13NS.C10H16N2.2C9H11N3.C9H15N3.C9H11N3.2C6H11N3/c2*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)3-6-7-4-8-9-6;1-5(2)3-6-4-7-9-8-6/h2*4-7,12H,3H2,1-2H3;6-8H,3-5H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);6-7H,3-5H2,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11,12);2*4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyBQXBDHRNULEZEY-UHFFFAOYSA-N
MW1430.00 g/mol
LogP18.48
Rot. Bonds11

About 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 157434221) has the molecular formula C80H112N22OS and a molecular weight of 1430.00 g/mol. Its IUPAC name is 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID157434221
Molecular FormulaC80H112N22OS
Molecular Weight1430.00 g/mol
Exact Mass1428.91
IUPAC Name2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1CCc2nc[nH]c2C1.CC(C)Cc1cn[nH]n1.CC(C)Cc1ncn[nH]1.CC(C)N1CCc2nc[nH]c2C1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1cnc2nc[nH]c2c1
InChIInChI=1S/C11H13NO.C11H13NS.C10H16N2.2C9H11N3.C9H15N3.C9H11N3.2C6H11N3/c2*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)3-6-7-4-8-9-6;1-5(2)3-6-4-7-9-8-6/h2*4-7,12H,3H2,1-2H3;6-8H,3-5H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);6-7H,3-5H2,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11,12);2*4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyBQXBDHRNULEZEY-UHFFFAOYSA-N
XLogP18.48
TPSA301.74 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001430.00
LogP ≤ 518.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

3-[5-[5-methoxy-4-[[3-(4-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-2-phenylphenyl]-1H-pyrazol-3-yl]-N-(2-methoxy-5-pyrazin-2-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 137245136
3-[3-[4-(2-methoxy-5-phenylanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1-methylpyrazol-4-yl]-2-N,2-N-dimethyl-1-N-[3-(1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]-5-thiophen-3-ylbenzene-1,2-diamine
CID 137245142
N-[2-methoxy-4-[3-[4-(2-methoxy-5-thiophen-2-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1H-pyrazol-5-yl]-5-phenylphenyl]-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 145387978
4-N-[2-(dimethylamino)-5-thiophen-3-ylphenyl]-5-(1H-pyrazole-5-carboximidoyl)pyrimidine-4,6-diamine;N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 145387996
2-[3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1H-pyrazol-5-yl]-5-piperazin-1-yl-1,3-thiazole
CID 156321770
3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157177145
6-propan-2-yl-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-2,3-dihydro-1,3-benzoxazole;bis(5-propan-2-yl-2,3-dihydro-1H-indole);7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;6-propan-2-ylquinoline;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 157452324
2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 157943498
N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158003373
3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158257278
6-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-1H-indole);6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;6-tert-butyl-2-methylidene-3H-1,3-benzoxazole;2-tert-butyl-5-methylsulfonylthiophene;3-(2,2-dimethylpropyl)-5-methylidene-1,4-dihydropyrazole;5-(2,2-dimethylpropyl)-1H-pyrazole;5-(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 159337444
1H-benzimidazole;3H-1,3-benzothiazol-2-one;2H-benzotriazole;3H-1,3-benzoxazol-2-one;ethane;1H-indazole;1H-indole
CID 160108137

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 157434221) is 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1CCc2nc[nH]c2C1.CC(C)Cc1cn[nH]n1.CC(C)Cc1ncn[nH]1.CC(C)N1CCc2nc[nH]c2C1.CC(C)c1cc2nc[nH]c2cn1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1cnc2nc[nH]c2c1.
What is the InChIKey of 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BQXBDHRNULEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H13NS.C10H16N2.2C9H11N3.C9H15N3.C9H11N3.2C6H11N3/c2*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-8-9(4-10-7)12-5-11-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-5(2)3-6-7-4-8-9-6;1-5(2)3-6-4-7-9-8-6/h2*4-7,12H,3H2,1-2H3;6-8H,3-5H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);6-7H,3-5H2,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11,12);2*4-5H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 1430.00 g/mol, XLogP of 18.48, 11 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;4-(2-methylpropyl)-2H-triazole;5-(2-methylpropyl)-1H-1,2,4-triazole;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazole;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 157434221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).