3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C68H62N10O4S3 — CID 161470637

IUPAC3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]cc(C#N)c2c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]cc(C=O)c2c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H20N4OS.C23H21N3O2S.C22H21N3OS/c1-23(2,21(28)27-22-25-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(13-24)14-26-19;1-23(2,21(28)26-22-24-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(14-27)13-25-19;1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-12,14,20,26H,1-2H3,(H,25,27,28);3-14,20,25H,1-2H3,(H,24,26,28);3-14,19,23H,1-2H3,(H,24,25,26)
InChIKeyWDAMAWZHQFKLRS-UHFFFAOYSA-N
MW1179.51 g/mol
LogP15.95
Rot. Bonds16

About 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 161470637) has the molecular formula C68H62N10O4S3 and a molecular weight of 1179.51 g/mol. Its IUPAC name is 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID161470637
Molecular FormulaC68H62N10O4S3
Molecular Weight1179.51 g/mol
Exact Mass1178.41
IUPAC Name3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]cc(C#N)c2c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]cc(C=O)c2c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H20N4OS.C23H21N3O2S.C22H21N3OS/c1-23(2,21(28)27-22-25-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(13-24)14-26-19;1-23(2,21(28)26-22-24-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(14-27)13-25-19;1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-12,14,20,26H,1-2H3,(H,25,27,28);3-14,20,25H,1-2H3,(H,24,26,28);3-14,19,23H,1-2H3,(H,24,25,26)
InChIKeyWDAMAWZHQFKLRS-UHFFFAOYSA-N
XLogP15.95
TPSA214.20 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001179.51
LogP ≤ 515.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide with MolForge

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Related Compounds

3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(thiazol-2-yl)propanamide
CID 59252748
1H-indole;1-(1-phenylethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 87417797
2-[(3-formyl-1H-indol-5-yl)-phenylmethyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 88883723
7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
CID 157148011
benzoyl isothiocyanate;4-tert-butyl-N-(1H-indol-4-yl)-1,3-thiazol-2-amine;1H-indol-4-amine;N-(1H-indol-4-ylcarbamothioyl)benzamide;1H-indol-4-ylthiourea
CID 158511190
1H-indole-5-carbaldehyde;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-[1-(dimethylcarbamoyl)indol-5-yl]-2,2-dimethyl-3-phenylpropanoate
CID 158684829
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 158742804
2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenylpropanoic acid;2,2-dimethyl-3-(1-methylindol-5-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenylpropanoic acid
CID 159848765
5-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1H-indole-3-carboxamide;N-[6-(3-cyano-1H-indol-5-yl)-1,3-benzothiazol-2-yl]acetamide;methane
CID 161414153
(3Z)-5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one;(3E)-5-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-1,3-thiazol-5-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 161510966
5-[(Z)-[5-(2-anilino-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-3-[2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[4-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]phenyl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 164160640
2-N,5-N-bis[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]-1,3-thiazol-2-yl]-1H-indole-2,5-dicarboxamide
CID 101065009

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 161470637) is 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]cc(C#N)c2c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]cc(C=O)c2c1.CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WDAMAWZHQFKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS.C23H21N3O2S.C22H21N3OS/c1-23(2,21(28)27-22-25-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(13-24)14-26-19;1-23(2,21(28)26-22-24-10-11-29-22)20(15-6-4-3-5-7-15)16-8-9-19-18(12-16)17(14-27)13-25-19;1-22(2,20(26)25-21-24-12-13-27-21)19(15-6-4-3-5-7-15)17-8-9-18-16(14-17)10-11-23-18/h3-12,14,20,26H,1-2H3,(H,25,27,28);3-14,20,25H,1-2H3,(H,24,26,28);3-14,19,23H,1-2H3,(H,24,25,26).
What are the key properties of 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 1179.51 g/mol, XLogP of 15.95, 16 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(3-formyl-1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1H-indol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 161470637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).