N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C17H14N2O2S — CID 46666287

IUPACN-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1O
InChIInChI=1S/C17H14N2O2S/c1-11-15(16(21)19-13-9-5-6-10-14(13)20)22-17(18-11)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,19,21)
InChIKeyYJRMQZQFDXXXHV-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.08
Rot. Bonds3

About N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 46666287) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID46666287
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1O
InChIInChI=1S/C17H14N2O2S/c1-11-15(16(21)19-13-9-5-6-10-14(13)20)22-17(18-11)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,19,21)
InChIKeyYJRMQZQFDXXXHV-UHFFFAOYSA-N
XLogP4.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27672714
4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 78837201
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 17398337
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675116
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 39820934
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121148887
N-[2-(2-hydroxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110427150

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 46666287) is N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YJRMQZQFDXXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-15(16(21)19-13-9-5-6-10-14(13)20)22-17(18-11)12-7-3-2-4-8-12/h2-10,20H,1H3,(H,19,21).
What are the key properties of N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46666287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).