N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H11ClF3N3S — CID 106785037

IUPACN-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1ccncc1Cl
InChIInChI=1S/C12H11ClF3N3S/c1-2-18-10(7-3-4-17-5-8(7)13)9-6-19-11(20-9)12(14,15)16/h3-6,10,18H,2H2,1H3
InChIKeyWJHAJONVOBFPGT-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.91
Rot. Bonds4

About N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106785037) has the molecular formula C12H11ClF3N3S and a molecular weight of 321.76 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106785037
Molecular FormulaC12H11ClF3N3S
Molecular Weight321.76 g/mol
Exact Mass321.03
IUPAC NameN-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1ccncc1Cl
InChIInChI=1S/C12H11ClF3N3S/c1-2-18-10(7-3-4-17-5-8(7)13)9-6-19-11(20-9)12(14,15)16/h3-6,10,18H,2H2,1H3
InChIKeyWJHAJONVOBFPGT-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine 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 N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106785037) is N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)c1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WJHAJONVOBFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3S/c1-2-18-10(7-3-4-17-5-8(7)13)9-6-19-11(20-9)12(14,15)16/h3-6,10,18H,2H2,1H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 321.76 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106785037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).