2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C12H13F3N4OS — CID 3461509

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1nccs1
InChIInChI=1S/C12H13F3N4OS/c1-7(10(20)17-11-16-3-4-21-11)6-19-8(2)5-9(18-19)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17,20)
InChIKeyLBWWRDQHKUUCPN-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.94
Rot. Bonds4

About 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3461509) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3461509
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1nccs1
InChIInChI=1S/C12H13F3N4OS/c1-7(10(20)17-11-16-3-4-21-11)6-19-8(2)5-9(18-19)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17,20)
InChIKeyLBWWRDQHKUUCPN-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 3461509) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LBWWRDQHKUUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-7(10(20)17-11-16-3-4-21-11)6-19-8(2)5-9(18-19)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,16,17,20).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 318.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3461509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).