2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C14H16F3N5OS — CID 141431626

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H16F3N5OS/c1-10-8-11(14(15,16)17)19-22(10)9-12(23)20-3-5-21(6-4-20)13-18-2-7-24-13/h2,7-8H,3-6,9H2,1H3
InChIKeyIROHNYWEXNTTNV-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.02
Rot. Bonds3

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 141431626) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID141431626
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H16F3N5OS/c1-10-8-11(14(15,16)17)19-22(10)9-12(23)20-3-5-21(6-4-20)13-18-2-7-24-13/h2,7-8H,3-6,9H2,1H3
InChIKeyIROHNYWEXNTTNV-UHFFFAOYSA-N
XLogP2.02
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 141431626) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is IROHNYWEXNTTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-10-8-11(14(15,16)17)19-22(10)9-12(23)20-3-5-21(6-4-20)13-18-2-7-24-13/h2,7-8H,3-6,9H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 359.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 141431626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).