2-(difluoromethyl)-1,3-thiazole-5-carboxamide

C5H4F2N2OS — CID 67240227

IUPAC2-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C5H4F2N2OS/c6-3(7)5-9-1-2(11-5)4(8)10/h1,3H,(H2,8,10)
InChIKeyXUWUETNLNBHYTM-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.18
Rot. Bonds2

About 2-(difluoromethyl)-1,3-thiazole-5-carboxamide

2-(difluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 67240227) has the molecular formula C5H4F2N2OS and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID67240227
Molecular FormulaC5H4F2N2OS
Molecular Weight178.16 g/mol
Exact Mass178.00
IUPAC Name2-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C5H4F2N2OS/c6-3(7)5-9-1-2(11-5)4(8)10/h1,3H,(H2,8,10)
InChIKeyXUWUETNLNBHYTM-UHFFFAOYSA-N
XLogP1.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-carboxamide (CID 67240227) is 2-(difluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XUWUETNLNBHYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2OS/c6-3(7)5-9-1-2(11-5)4(8)10/h1,3H,(H2,8,10).
What are the key properties of 2-(difluoromethyl)-1,3-thiazole-5-carboxamide?
2-(difluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 178.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67240227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).