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

C13H10F4N6OS — CID 165129997

IUPACN-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(CC(F)F)nc1C(F)F)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C13H10F4N6OS/c14-9(15)4-23-3-7(10(22-23)11(16)17)20-12(24)8-5-25-13(21-8)6-1-18-19-2-6/h1-3,5,9,11H,4H2,(H,18,19)(H,20,24)
InChIKeySBZCISUOQAQCDL-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.18
Rot. Bonds6

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

N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129997) has the molecular formula C13H10F4N6OS and a molecular weight of 374.32 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129997
Molecular FormulaC13H10F4N6OS
Molecular Weight374.32 g/mol
Exact Mass374.06
IUPAC NameN-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(CC(F)F)nc1C(F)F)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C13H10F4N6OS/c14-9(15)4-23-3-7(10(22-23)11(16)17)20-12(24)8-5-25-13(21-8)6-1-18-19-2-6/h1-3,5,9,11H,4H2,(H,18,19)(H,20,24)
InChIKeySBZCISUOQAQCDL-UHFFFAOYSA-N
XLogP3.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129904
US20240174679, Example 1-40
CID 122638479
US20240174679, Example 7-31
CID 165129895
US20240174679, Example 7-12
CID 165129901
US20240174679, Example 7-36
CID 165129911
US20240174679, Example 7-42
CID 165129933
US20240174679, Example 1-35
CID 165129971
US20240174679, Example 3-1
CID 165129972
US20240174679, Example 7-40
CID 165129976
US20240174679, Example 1-43
CID 165129981
US20240174679, Example 5-1
CID 165129988
US20240174679, Example 9-17
CID 165129993

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129997) is N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(CC(F)F)nc1C(F)F)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SBZCISUOQAQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N6OS/c14-9(15)4-23-3-7(10(22-23)11(16)17)20-12(24)8-5-25-13(21-8)6-1-18-19-2-6/h1-3,5,9,11H,4H2,(H,18,19)(H,20,24).
What are the key properties of N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).