1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide

C20H17N3OS — CID 55993689

IUPAC1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCc1nc(NC(=O)c2cn(C)c3ccccc23)sc1-c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-13-18(14-8-4-3-5-9-14)25-20(21-13)22-19(24)16-12-23(2)17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,21,22,24)
InChIKeyLSWUBXQWOCKZQP-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.86
Rot. Bonds3

About 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide

1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 55993689) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID55993689
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCc1nc(NC(=O)c2cn(C)c3ccccc23)sc1-c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-13-18(14-8-4-3-5-9-14)25-20(21-13)22-19(24)16-12-23(2)17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,21,22,24)
InChIKeyLSWUBXQWOCKZQP-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 39189888
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37200709
7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
CID 55851954
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 86794129
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 37201848
methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
CID 39189291
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
(E)-4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 134348775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide (CID 55993689) is 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide is Cc1nc(NC(=O)c2cn(C)c3ccccc23)sc1-c1ccccc1.
What is the InChIKey of 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is LSWUBXQWOCKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-18(14-8-4-3-5-9-14)25-20(21-13)22-19(24)16-12-23(2)17-11-7-6-10-15(16)17/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide?
1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 55993689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).