N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C15H11FN2OS2 — CID 38741743

IUPACN-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H11FN2OS2/c1-9-2-3-11(16)12(6-9)17-14(19)13-8-21-15(18-13)10-4-5-20-7-10/h2-8H,1H3,(H,17,19)
InChIKeyJXNIYRBJCQLSBA-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.57
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 38741743) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID38741743
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H11FN2OS2/c1-9-2-3-11(16)12(6-9)17-14(19)13-8-21-15(18-13)10-4-5-20-7-10/h2-8H,1H3,(H,17,19)
InChIKeyJXNIYRBJCQLSBA-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(2-methyl-5-nitrophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663035
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46565546
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
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
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 38741743) is N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is Cc1ccc(F)c(NC(=O)c2csc(-c3ccsc3)n2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JXNIYRBJCQLSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-9-2-3-11(16)12(6-9)17-14(19)13-8-21-15(18-13)10-4-5-20-7-10/h2-8H,1H3,(H,17,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38741743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).