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

C17H12F2N2OS — CID 38764761

IUPAC2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H12F2N2OS/c18-12-6-7-14(13(19)9-12)21-17(22)15-10-23-16(20-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,21,22)
InChIKeyLRQPDBOJYXYRTN-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.26
Rot. Bonds4

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

2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 38764761) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID38764761
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H12F2N2OS/c18-12-6-7-14(13(19)9-12)21-17(22)15-10-23-16(20-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,21,22)
InChIKeyLRQPDBOJYXYRTN-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166221899
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
CID 28731409
ethyl 4-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697649
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
6-N-(2,4-difluorophenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109100019
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66376335
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 38764761) is 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LRQPDBOJYXYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c18-12-6-7-14(13(19)9-12)21-17(22)15-10-23-16(20-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,21,22).
What are the key properties of 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38764761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).