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

C5H4F2N2OS — CID 69185817

IUPAC4-(difluoromethyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(C(F)F)cs1
InChIInChI=1S/C5H4F2N2OS/c6-3(7)2-1-11-5(9-2)4(8)10/h1,3H,(H2,8,10)
InChIKeyCGUJDHQWIDXJNO-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.18
Rot. Bonds2

About 4-(difluoromethyl)-1,3-thiazole-2-carboxamide

4-(difluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 69185817) has the molecular formula C5H4F2N2OS and a molecular weight of 178.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID69185817
Molecular FormulaC5H4F2N2OS
Molecular Weight178.16 g/mol
Exact Mass178.00
IUPAC Name4-(difluoromethyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(C(F)F)cs1
InChIInChI=1S/C5H4F2N2OS/c6-3(7)2-1-11-5(9-2)4(8)10/h1,3H,(H2,8,10)
InChIKeyCGUJDHQWIDXJNO-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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Related Compounds

2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
2-Methyl-1,3-thiazole-4-carboxylic acid amide
CID 7019409
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one
CID 53402794
Thiazole-diamide
CID 21616754
2-Fluoro-1,3-thiazole-4-carboxamide
CID 58001584
4-Trifluoromethyl-thiazole-2-carboxylic acid amide
CID 59533404
4-(2,2,2-Trifluoroacetyl)-1,3-thiazole-2-carboxamide
CID 67326663
2-[4-(Fluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 67484175
2-(Trifluoromethyl)thiazole-4-carboxamide
CID 68572341
5-Fluoro-4-methyl-1,3-thiazole-2-carboxamide
CID 69181887
2-(Trifluoromethyl)thiazole-4-carbohydrazide
CID 89488133
4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
CID 122628434

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazole-2-carboxamide (CID 69185817) is 4-(difluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazole-2-carboxamide is NC(=O)c1nc(C(F)F)cs1.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is CGUJDHQWIDXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2OS/c6-3(7)2-1-11-5(9-2)4(8)10/h1,3H,(H2,8,10).
What are the key properties of 4-(difluoromethyl)-1,3-thiazole-2-carboxamide?
4-(difluoromethyl)-1,3-thiazole-2-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 4-(difluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69185817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).