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

C12H15F2N5O2S — CID 161347312

IUPAC4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nc(C(F)F)c(C(N)=O)s1.Cc1nn(C)cc1C(N)=O
InChIInChI=1S/C6H6F2N2OS.C6H9N3O/c1-2-10-3(5(7)8)4(12-2)6(9)11;1-4-5(6(7)10)3-9(2)8-4/h5H,1H3,(H2,9,11);3H,1-2H3,(H2,7,10)
InChIKeyVNMANFJQPULSNL-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.32
Rot. Bonds3

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

4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide (PubChem CID 161347312) has the molecular formula C12H15F2N5O2S and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide
PubChem CID161347312
Molecular FormulaC12H15F2N5O2S
Molecular Weight331.35 g/mol
Exact Mass331.09
IUPAC Name4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nc(C(F)F)c(C(N)=O)s1.Cc1nn(C)cc1C(N)=O
InChIInChI=1S/C6H6F2N2OS.C6H9N3O/c1-2-10-3(5(7)8)4(12-2)6(9)11;1-4-5(6(7)10)3-9(2)8-4/h5H,1H3,(H2,9,11);3H,1-2H3,(H2,7,10)
InChIKeyVNMANFJQPULSNL-UHFFFAOYSA-N
XLogP1.32
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide (CID 161347312) is 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide is Cc1nc(C(F)F)c(C(N)=O)s1.Cc1nn(C)cc1C(N)=O.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VNMANFJQPULSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS.C6H9N3O/c1-2-10-3(5(7)8)4(12-2)6(9)11;1-4-5(6(7)10)3-9(2)8-4/h5H,1H3,(H2,9,11);3H,1-2H3,(H2,7,10).
What are the key properties of 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide?
4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 161347312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).