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

C12H10F2N6OS — CID 165129994

IUPACN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H10F2N6OS/c1-6-8(4-20(19-6)12(13)14)17-10(21)9-5-22-11(18-9)7-2-15-16-3-7/h2-5,12H,1H3,(H,15,16)(H,17,21)
InChIKeyUJPTXJGZRVCDJW-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.69
Rot. Bonds4

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

N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129994) has the molecular formula C12H10F2N6OS and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129994
Molecular FormulaC12H10F2N6OS
Molecular Weight324.32 g/mol
Exact Mass324.06
IUPAC NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H10F2N6OS/c1-6-8(4-20(19-6)12(13)14)17-10(21)9-5-22-11(18-9)7-2-15-16-3-7/h2-5,12H,1H3,(H,15,16)(H,17,21)
InChIKeyUJPTXJGZRVCDJW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129994) is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1nn(C(F)F)cc1NC(=O)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UJPTXJGZRVCDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6OS/c1-6-8(4-20(19-6)12(13)14)17-10(21)9-5-22-11(18-9)7-2-15-16-3-7/h2-5,12H,1H3,(H,15,16)(H,17,21).
What are the key properties of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).