2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C19H15N3OS — CID 137028285

IUPAC2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-12-6-8-13(9-7-12)21-18(23)17-11-24-19(22-17)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,23)
InChIKeyFRVABKFHQAXLEW-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.85
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 137028285) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID137028285
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3OS/c1-12-6-8-13(9-7-12)21-18(23)17-11-24-19(22-17)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,23)
InChIKeyFRVABKFHQAXLEW-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

Camalexin
CID 636970
N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
3-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-guanidine
CID 15636963
Indothiazinone
CID 69252541
4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
CID 11673059
Ac-Trp-Arg-Leu-Arg-thiazol-2-yl
CID 118721650
Ac-Trp-Lys-Leu-Arg-thiazol-2-yl
CID 118721653
N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 17453466
N-{(Z)-1-[2-(1H-Indol-3-yl)-ethylcarbamoyl]-2-thiophen-2-yl-vinyl}-4-methyl-benzamide
CID 6509573

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 137028285) is 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FRVABKFHQAXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-6-8-13(9-7-12)21-18(23)17-11-24-19(22-17)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H,21,23).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-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 2-(1H-indol-3-yl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137028285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).