4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H19ClF3N3S — CID 118909335

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESC[C@@H]1CCCCN1Cc1sc(N)nc1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H19ClF3N3S/c1-10-4-2-3-7-24(10)9-14-15(23-16(22)25-14)11-5-6-13(18)12(8-11)17(19,20)21/h5-6,8,10H,2-4,7,9H2,1H3,(H2,22,23)/t10-/m1/s1
InChIKeyQWAXOLBOVQJETK-SNVBAGLBSA-N
MW389.87 g/mol
LogP5.44
Rot. Bonds3

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine

4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 118909335) has the molecular formula C17H19ClF3N3S and a molecular weight of 389.87 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID118909335
Molecular FormulaC17H19ClF3N3S
Molecular Weight389.87 g/mol
Exact Mass389.09
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESC[C@@H]1CCCCN1Cc1sc(N)nc1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H19ClF3N3S/c1-10-4-2-3-7-24(10)9-14-15(23-16(22)25-14)11-5-6-13(18)12(8-11)17(19,20)21/h5-6,8,10H,2-4,7,9H2,1H3,(H2,22,23)/t10-/m1/s1
InChIKeyQWAXOLBOVQJETK-SNVBAGLBSA-N
XLogP5.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.87
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine 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-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 118909335) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine is C[C@@H]1CCCCN1Cc1sc(N)nc1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is QWAXOLBOVQJETK-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19ClF3N3S/c1-10-4-2-3-7-24(10)9-14-15(23-16(22)25-14)11-5-6-13(18)12(8-11)17(19,20)21/h5-6,8,10H,2-4,7,9H2,1H3,(H2,22,23)/t10-/m1/s1.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 389.87 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118909335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).