4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C10H9F3N4OS — CID 136575219

IUPAC4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H9F3N4OS/c1-5-8(19-4-14-5)9(18)15-7-3-6(10(11,12)13)17(2)16-7/h3-4H,1-2H3,(H,15,16,18)
InChIKeyPZTXRMAZVWYIOB-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.46
Rot. Bonds2

About 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 136575219) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID136575219
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C10H9F3N4OS/c1-5-8(19-4-14-5)9(18)15-7-3-6(10(11,12)13)17(2)16-7/h3-4H,1-2H3,(H,15,16,18)
InChIKeyPZTXRMAZVWYIOB-UHFFFAOYSA-N
XLogP2.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 136575219) is 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PZTXRMAZVWYIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-5-8(19-4-14-5)9(18)15-7-3-6(10(11,12)13)17(2)16-7/h3-4H,1-2H3,(H,15,16,18).
What are the key properties of 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136575219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).