N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C15H12N2O2S2 — CID 9087292

IUPACN-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(O)c1
InChIInChI=1S/C15H12N2O2S2/c1-9-2-3-11(13(18)6-9)16-14(19)12-8-21-15(17-12)10-4-5-20-7-10/h2-8,18H,1H3,(H,16,19)
InChIKeyOIVWJZFKGFTVMA-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.14
Rot. Bonds3

About N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 9087292) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID9087292
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(O)c1
InChIInChI=1S/C15H12N2O2S2/c1-9-2-3-11(13(18)6-9)16-14(19)12-8-21-15(17-12)10-4-5-20-7-10/h2-8,18H,1H3,(H,16,19)
InChIKeyOIVWJZFKGFTVMA-UHFFFAOYSA-N
XLogP4.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N-(2-methyl-5-nitrophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663035
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 9087292) is N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OIVWJZFKGFTVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-9-2-3-11(13(18)6-9)16-14(19)12-8-21-15(17-12)10-4-5-20-7-10/h2-8,18H,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9087292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).