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

C15H11FN2OS2 — CID 9045051

IUPACN-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H11FN2OS2/c1-9-4-5-10(16)7-11(9)17-14(19)12-8-21-15(18-12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19)
InChIKeyDCAADXBHQAUZQP-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.57
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 9045051) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID9045051
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H11FN2OS2/c1-9-4-5-10(16)7-11(9)17-14(19)12-8-21-15(18-12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19)
InChIKeyDCAADXBHQAUZQP-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

methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 9047543
2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523899
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[2-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55887676
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 9045051) is N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is Cc1ccc(F)cc1NC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DCAADXBHQAUZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-9-4-5-10(16)7-11(9)17-14(19)12-8-21-15(18-12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-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-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9045051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).