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

C6H6F2N2OS — CID 68738197

IUPAC4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(N)=O)s1
InChIInChI=1S/C6H6F2N2OS/c1-2-10-3(5(7)8)4(12-2)6(9)11/h5H,1H3,(H2,9,11)
InChIKeySCEXWVANYWOPEZ-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.49
Rot. Bonds2

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

4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 68738197) has the molecular formula C6H6F2N2OS and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID68738197
Molecular FormulaC6H6F2N2OS
Molecular Weight192.19 g/mol
Exact Mass192.02
IUPAC Name4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(N)=O)s1
InChIInChI=1S/C6H6F2N2OS/c1-2-10-3(5(7)8)4(12-2)6(9)11/h5H,1H3,(H2,9,11)
InChIKeySCEXWVANYWOPEZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 68738197) is 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(F)F)c(C(N)=O)s1.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SCEXWVANYWOPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS/c1-2-10-3(5(7)8)4(12-2)6(9)11/h5H,1H3,(H2,9,11).
What are the key properties of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 192.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68738197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).