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

C12H9F3N6OS — CID 122638479

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N6OS/c1-21-4-7(9(20-21)12(13,14)15)18-10(22)8-5-23-11(19-8)6-2-16-17-3-6/h2-5H,1H3,(H,16,17)(H,18,22)
InChIKeyRBYCKJFYHJRQSL-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.54
Rot. Bonds3

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

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122638479) has the molecular formula C12H9F3N6OS and a molecular weight of 342.31 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122638479
Molecular FormulaC12H9F3N6OS
Molecular Weight342.31 g/mol
Exact Mass342.05
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N6OS/c1-21-4-7(9(20-21)12(13,14)15)18-10(22)8-5-23-11(19-8)6-2-16-17-3-6/h2-5H,1H3,(H,16,17)(H,18,22)
InChIKeyRBYCKJFYHJRQSL-UHFFFAOYSA-N
XLogP2.54
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-methyl-3-(trifluoromethyl)pyrazol-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 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
US20240174679, Example 1-5
CID 165129994

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122638479) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-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)F)n1.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RBYCKJFYHJRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6OS/c1-21-4-7(9(20-21)12(13,14)15)18-10(22)8-5-23-11(19-8)6-2-16-17-3-6/h2-5H,1H3,(H,16,17)(H,18,22).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).