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

C14H8F2N2OS2 — CID 1473845

IUPACN-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H8F2N2OS2/c15-8-3-4-10(9(16)6-8)17-13(19)11-7-21-14(18-11)12-2-1-5-20-12/h1-7H,(H,17,19)
InChIKeyCSJRASZCKXEKGQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.40
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 1473845) has the molecular formula C14H8F2N2OS2 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID1473845
Molecular FormulaC14H8F2N2OS2
Molecular Weight322.36 g/mol
Exact Mass322.00
IUPAC NameN-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H8F2N2OS2/c15-8-3-4-10(9(16)6-8)17-13(19)11-7-21-14(18-11)12-2-1-5-20-12/h1-7H,(H,17,19)
InChIKeyCSJRASZCKXEKGQ-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25095214
N-(2-piperazin-1-ylphenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 70681810
N-[2-(piperazin-1-yl)phenyl]-2-(thiophen-3-yl)-1,3-thiazole-4-carboxamide
CID 70692366
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
2-((1,3-Benzothiazol-2-yl)methyl)-4,5-dihydro-1,3-thiazol-4-one
CID 135753731
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486906
2-ethynyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 168291606
2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 3783920
N-tert-butyl-1,3-benzothiazole-2-carboxamide
CID 2445624
N,2-diphenyl-1,3-thiazole-4-carboxamide
CID 2744457
N-(2,4-difluorophenyl)-N'-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}urea
CID 2738841

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 1473845) is N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CSJRASZCKXEKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2OS2/c15-8-3-4-10(9(16)6-8)17-13(19)11-7-21-14(18-11)12-2-1-5-20-12/h1-7H,(H,17,19).
What are the key properties of N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1473845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).