N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C15H14F2N6OS — CID 165129993

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CCC2)c1)c1csc(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C15H14F2N6OS/c16-15(17)23-6-9(4-18-23)14-21-12(8-25-14)13(24)20-10-5-19-22(7-10)11-2-1-3-11/h4-8,11,15H,1-3H2,(H,20,24)
InChIKeyBVYXJBXDCGXVCG-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.58
Rot. Bonds5

About N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 165129993) has the molecular formula C15H14F2N6OS and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID165129993
Molecular FormulaC15H14F2N6OS
Molecular Weight364.38 g/mol
Exact Mass364.09
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(C2CCC2)c1)c1csc(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C15H14F2N6OS/c16-15(17)23-6-9(4-18-23)14-21-12(8-25-14)13(24)20-10-5-19-22(7-10)11-2-1-3-11/h4-8,11,15H,1-3H2,(H,20,24)
InChIKeyBVYXJBXDCGXVCG-UHFFFAOYSA-N
XLogP3.58
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 165129993) is N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(C2CCC2)c1)c1csc(-c2cnn(C(F)F)c2)n1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is BVYXJBXDCGXVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6OS/c16-15(17)23-6-9(4-18-23)14-21-12(8-25-14)13(24)20-10-5-19-22(7-10)11-2-1-3-11/h4-8,11,15H,1-3H2,(H,20,24).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).