N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide

C19H15N3OS — CID 26312296

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cs1
InChIInChI=1S/C19H15N3OS/c1-12-20-18(11-24-12)13-6-4-7-15(9-13)21-19(23)17-10-14-5-2-3-8-16(14)22-17/h2-11,22H,1H3,(H,21,23)
InChIKeyBVUQTDVHEYVENM-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.85
Rot. Bonds3

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

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 26312296) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID26312296
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cs1
InChIInChI=1S/C19H15N3OS/c1-12-20-18(11-24-12)13-6-4-7-15(9-13)21-19(23)17-10-14-5-2-3-8-16(14)22-17/h2-11,22H,1H3,(H,21,23)
InChIKeyBVUQTDVHEYVENM-UHFFFAOYSA-N
XLogP4.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 87012121
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide (CID 26312296) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is BVUQTDVHEYVENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-20-18(11-24-12)13-6-4-7-15(9-13)21-19(23)17-10-14-5-2-3-8-16(14)22-17/h2-11,22H,1H3,(H,21,23).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 26312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).