N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C11H8F2N2OS — CID 47450900

IUPACN-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)c2F)cs1
InChIInChI=1S/C11H8F2N2OS/c1-6-14-9(5-17-6)11(16)15-8-4-2-3-7(12)10(8)13/h2-5H,1H3,(H,15,16)
InChIKeyMRVUNWTWOYQHBK-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.98
Rot. Bonds2

About N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 47450900) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID47450900
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC NameN-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)c2F)cs1
InChIInChI=1S/C11H8F2N2OS/c1-6-14-9(5-17-6)11(16)15-8-4-2-3-7(12)10(8)13/h2-5H,1H3,(H,15,16)
InChIKeyMRVUNWTWOYQHBK-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65200000
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-(2,3-difluorophenyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 154804911
6-amino-N-(2,3-difluorophenyl)pyridazine-3-carboxamide
CID 55041797
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 166234118
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-(2,3-difluorophenyl)benzamide
CID 139202270
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
4-[(2-bromo-3-methylphenyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892937

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 47450900) is N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(F)c2F)cs1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MRVUNWTWOYQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c1-6-14-9(5-17-6)11(16)15-8-4-2-3-7(12)10(8)13/h2-5H,1H3,(H,15,16).
What are the key properties of N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47450900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).