1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol

C6H9ClN2OS — CID 84664430

IUPAC1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1sncc1Cl
InChIInChI=1S/C6H9ClN2OS/c1-8-3-5(10)6-4(7)2-9-11-6/h2,5,8,10H,3H2,1H3
InChIKeyMRLKIBXTQIDGGM-UHFFFAOYSA-N
MW192.67 g/mol
LogP1.05
Rot. Bonds3

About 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol

1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol (PubChem CID 84664430) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
PubChem CID84664430
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1sncc1Cl
InChIInChI=1S/C6H9ClN2OS/c1-8-3-5(10)6-4(7)2-9-11-6/h2,5,8,10H,3H2,1H3
InChIKeyMRLKIBXTQIDGGM-UHFFFAOYSA-N
XLogP1.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chloro-1,2-thiazol-5-yl)ethanol
CID 84651748
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656712
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664427
3-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664428
1-(4-Bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84699874
2-(Methylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 131036683

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol (CID 84664430) is 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol is CNCC(O)c1sncc1Cl.
What is the InChIKey of 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
The InChIKey is MRLKIBXTQIDGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-8-3-5(10)6-4(7)2-9-11-6/h2,5,8,10H,3H2,1H3.
What are the key properties of 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol?
1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol has a molecular weight of 192.67 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 84664430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).