2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride

C5H8Cl2N2S — CID 75481398

IUPAC2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1cnc(Cl)s1
InChIInChI=1S/C5H7ClN2S.ClH/c6-5-8-3-4(9-5)1-2-7;/h3H,1-2,7H2;1H
InChIKeyWDMQOOLKBSARDY-UHFFFAOYSA-N
MW199.11 g/mol
LogP1.72
Rot. Bonds2

About 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride

2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (PubChem CID 75481398) has the molecular formula C5H8Cl2N2S and a molecular weight of 199.11 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
PubChem CID75481398
Molecular FormulaC5H8Cl2N2S
Molecular Weight199.11 g/mol
Exact Mass197.98
IUPAC Name2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1cnc(Cl)s1
InChIInChI=1S/C5H7ClN2S.ClH/c6-5-8-3-4(9-5)1-2-7;/h3H,1-2,7H2;1H
InChIKeyWDMQOOLKBSARDY-UHFFFAOYSA-N
XLogP1.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;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 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride (CID 75481398) is 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1cnc(Cl)s1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is WDMQOOLKBSARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S.ClH/c6-5-8-3-4(9-5)1-2-7;/h3H,1-2,7H2;1H.
What are the key properties of 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride?
2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 199.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 75481398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).