2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide

C10H6F2N2OS — CID 116891977

IUPAC2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C10H6F2N2OS/c11-5-1-2-7(12)6(3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15)
InChIKeyZJQJXEUDXPYMAQ-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.19
Rot. Bonds2

About 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide

2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 116891977) has the molecular formula C10H6F2N2OS and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID116891977
Molecular FormulaC10H6F2N2OS
Molecular Weight240.23 g/mol
Exact Mass240.02
IUPAC Name2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C10H6F2N2OS/c11-5-1-2-7(12)6(3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15)
InChIKeyZJQJXEUDXPYMAQ-UHFFFAOYSA-N
XLogP2.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 116891977) is 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZJQJXEUDXPYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2OS/c11-5-1-2-7(12)6(3-5)10-14-8(4-16-10)9(13)15/h1-4H,(H2,13,15).
What are the key properties of 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 240.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116891977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).