N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide

C11H8F2N2OS — CID 103586232

IUPACN-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cscn2)cc1F
InChIInChI=1S/C11H8F2N2OS/c1-6-2-8(13)9(3-7(6)12)15-11(16)10-4-17-5-14-10/h2-5H,1H3,(H,15,16)
InChIKeyOIRBVBBUJVMFCQ-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.98
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 103586232) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID103586232
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cscn2)cc1F
InChIInChI=1S/C11H8F2N2OS/c1-6-2-8(13)9(3-7(6)12)15-11(16)10-4-17-5-14-10/h2-5H,1H3,(H,15,16)
InChIKeyOIRBVBBUJVMFCQ-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

N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 103586232) is N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(F)c(NC(=O)c2cscn2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OIRBVBBUJVMFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c1-6-2-8(13)9(3-7(6)12)15-11(16)10-4-17-5-14-10/h2-5H,1H3,(H,15,16).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(2,5-difluoro-4-methylphenyl)-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-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103586232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).