2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol

C5H7ClN2OS — CID 19974374

IUPAC2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol
SMILESNCC(O)c1csc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c6-5-8-3(2-10-5)4(9)1-7/h2,4,9H,1,7H2
InChIKeyMYLPQOZEKINVIG-UHFFFAOYSA-N
MW178.64 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol

2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol (PubChem CID 19974374) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol
PubChem CID19974374
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol
SMILESNCC(O)c1csc(Cl)n1
InChIInChI=1S/C5H7ClN2OS/c6-5-8-3(2-10-5)4(9)1-7/h2,4,9H,1,7H2
InChIKeyMYLPQOZEKINVIG-UHFFFAOYSA-N
XLogP0.79
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol (CID 19974374) is 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol is NCC(O)c1csc(Cl)n1.
What is the InChIKey of 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol?
The InChIKey is MYLPQOZEKINVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2OS/c6-5-8-3(2-10-5)4(9)1-7/h2,4,9H,1,7H2.
What are the key properties of 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol?
2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol has a molecular weight of 178.64 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 19974374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).