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

C12H10F2N6OS — CID 165129996

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C12H10F2N6OS/c1-20-4-7(9(19-20)10(13)14)17-11(21)8-5-22-12(18-8)6-2-15-16-3-6/h2-5,10H,1H3,(H,15,16)(H,17,21)
InChIKeyWBSDFZKUADIBLI-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.46
Rot. Bonds4

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

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129996) has the molecular formula C12H10F2N6OS and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129996
Molecular FormulaC12H10F2N6OS
Molecular Weight324.32 g/mol
Exact Mass324.06
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C12H10F2N6OS/c1-20-4-7(9(19-20)10(13)14)17-11(21)8-5-22-12(18-8)6-2-15-16-3-6/h2-5,10H,1H3,(H,15,16)(H,17,21)
InChIKeyWBSDFZKUADIBLI-UHFFFAOYSA-N
XLogP2.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(difluoromethyl)-1-methylpyrazol-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-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129996) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WBSDFZKUADIBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6OS/c1-20-4-7(9(19-20)10(13)14)17-11(21)8-5-22-12(18-8)6-2-15-16-3-6/h2-5,10H,1H3,(H,15,16)(H,17,21).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).