N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C12H11F5N4OS — CID 166302314

IUPACN-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)c(C(F)F)c1NC(=O)c1nc(C(F)(F)F)sc1C
InChIInChI=1S/C12H11F5N4OS/c1-4-6(8(9(13)14)21(3)20-4)18-10(22)7-5(2)23-11(19-7)12(15,16)17/h9H,1-3H3,(H,18,22)
InChIKeyRSTVKNBKRUCYOW-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.70
Rot. Bonds3

About N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166302314) has the molecular formula C12H11F5N4OS and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID166302314
Molecular FormulaC12H11F5N4OS
Molecular Weight354.30 g/mol
Exact Mass354.06
IUPAC NameN-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)c(C(F)F)c1NC(=O)c1nc(C(F)(F)F)sc1C
InChIInChI=1S/C12H11F5N4OS/c1-4-6(8(9(13)14)21(3)20-4)18-10(22)7-5(2)23-11(19-7)12(15,16)17/h9H,1-3H3,(H,18,22)
InChIKeyRSTVKNBKRUCYOW-UHFFFAOYSA-N
XLogP3.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 166302314) is N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is Cc1nn(C)c(C(F)F)c1NC(=O)c1nc(C(F)(F)F)sc1C.
What is the InChIKey of N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RSTVKNBKRUCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N4OS/c1-4-6(8(9(13)14)21(3)20-4)18-10(22)7-5(2)23-11(19-7)12(15,16)17/h9H,1-3H3,(H,18,22).
What are the key properties of N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166302314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).