5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C15H18ClF3N4S — CID 120898152

IUPAC5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C15H17F3N4S.ClH/c16-15(17,18)11-1-3-12(4-2-11)22-7-5-21(6-8-22)10-13-9-20-14(19)23-13;/h1-4,9H,5-8,10H2,(H2,19,20);1H
InChIKeyYYPXQGNWSFXCGY-UHFFFAOYSA-N
MW378.85 g/mol
LogP3.49
Rot. Bonds3

About 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898152) has the molecular formula C15H18ClF3N4S and a molecular weight of 378.85 g/mol. Its IUPAC name is 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898152
Molecular FormulaC15H18ClF3N4S
Molecular Weight378.85 g/mol
Exact Mass378.09
IUPAC Name5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1
InChIInChI=1S/C15H17F3N4S.ClH/c16-15(17,18)11-1-3-12(4-2-11)22-7-5-21(6-8-22)10-13-9-20-14(19)23-13;/h1-4,9H,5-8,10H2,(H2,19,20);1H
InChIKeyYYPXQGNWSFXCGY-UHFFFAOYSA-N
XLogP3.49
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride 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 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898152) is 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)s1.
What is the InChIKey of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is YYPXQGNWSFXCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4S.ClH/c16-15(17,18)11-1-3-12(4-2-11)22-7-5-21(6-8-22)10-13-9-20-14(19)23-13;/h1-4,9H,5-8,10H2,(H2,19,20);1H.
What are the key properties of 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 378.85 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).