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

C13H11F3N6OS — CID 165130076

IUPACN-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(CCF)nc1C(F)F)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C13H11F3N6OS/c14-1-2-22-5-8(10(21-22)11(15)16)19-12(23)9-6-24-13(20-9)7-3-17-18-4-7/h3-6,11H,1-2H2,(H,17,18)(H,19,23)
InChIKeyWXHWBASRGRXFCP-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.89
Rot. Bonds6

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

N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130076) has the molecular formula C13H11F3N6OS and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130076
Molecular FormulaC13H11F3N6OS
Molecular Weight356.33 g/mol
Exact Mass356.07
IUPAC NameN-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(CCF)nc1C(F)F)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C13H11F3N6OS/c14-1-2-22-5-8(10(21-22)11(15)16)19-12(23)9-6-24-13(20-9)7-3-17-18-4-7/h3-6,11H,1-2H2,(H,17,18)(H,19,23)
InChIKeyWXHWBASRGRXFCP-UHFFFAOYSA-N
XLogP2.89
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130076) is N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn(CCF)nc1C(F)F)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WXHWBASRGRXFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6OS/c14-1-2-22-5-8(10(21-22)11(15)16)19-12(23)9-6-24-13(20-9)7-3-17-18-4-7/h3-6,11H,1-2H2,(H,17,18)(H,19,23).
What are the key properties of N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(2-fluoroethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).