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

C14H16F3N5OS — CID 1477903

IUPAC(4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(C)CC3)cs2)n1
InChIInChI=1S/C14H16F3N5OS/c1-9-7-11(14(15,16)17)22(19-9)13-18-10(8-24-13)12(23)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
InChIKeyYGEMUJZOTRNFKG-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.04
Rot. Bonds2

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

(4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone (PubChem CID 1477903) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
PubChem CID1477903
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name(4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(C)CC3)cs2)n1
InChIInChI=1S/C14H16F3N5OS/c1-9-7-11(14(15,16)17)22(19-9)13-18-10(8-24-13)12(23)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
InChIKeyYGEMUJZOTRNFKG-UHFFFAOYSA-N
XLogP2.04
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone 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 (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone (CID 1477903) is (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(C)CC3)cs2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The InChIKey is YGEMUJZOTRNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-9-7-11(14(15,16)17)22(19-9)13-18-10(8-24-13)12(23)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
(4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone has a molecular weight of 359.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 1477903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).