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

C5H4F2N2OS — CID 168885480

IUPAC5-(difluoromethyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C(F)F)s1
InChIInChI=1S/C5H4F2N2OS/c6-3(7)2-1-9-5(11-2)4(8)10/h1,3H,(H2,8,10)
InChIKeyYQEJXQAOIHVWFY-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.18
Rot. Bonds2

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

5-(difluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 168885480) has the molecular formula C5H4F2N2OS and a molecular weight of 178.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID168885480
Molecular FormulaC5H4F2N2OS
Molecular Weight178.16 g/mol
Exact Mass178.00
IUPAC Name5-(difluoromethyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C(F)F)s1
InChIInChI=1S/C5H4F2N2OS/c6-3(7)2-1-9-5(11-2)4(8)10/h1,3H,(H2,8,10)
InChIKeyYQEJXQAOIHVWFY-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 5-(difluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-1,3-thiazole-2-carboxamide (CID 168885480) is 5-(difluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is YQEJXQAOIHVWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2OS/c6-3(7)2-1-9-5(11-2)4(8)10/h1,3H,(H2,8,10).
What are the key properties of 5-(difluoromethyl)-1,3-thiazole-2-carboxamide?
5-(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 5-(difluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).