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

C5H7ClN2OS — CID 84656713

IUPAC2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol
SMILESNC(CO)c1sncc1Cl
InChIInChI=1S/C5H7ClN2OS/c6-3-1-8-10-5(3)4(7)2-9/h1,4,9H,2,7H2
InChIKeyQBHWIGHOLVMMHW-UHFFFAOYSA-N
MW178.64 g/mol
LogP0.79
Rot. Bonds2

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

2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol (PubChem CID 84656713) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol
PubChem CID84656713
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol
SMILESNC(CO)c1sncc1Cl
InChIInChI=1S/C5H7ClN2OS/c6-3-1-8-10-5(3)4(7)2-9/h1,4,9H,2,7H2
InChIKeyQBHWIGHOLVMMHW-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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Related Compounds

2-Amino-1-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656712
2-Amino-2-(4-chloro-1,2-thiazol-5-yl)acetic acid
CID 84664406
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664427
3-Amino-3-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664429
2-Amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688090

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol (CID 84656713) is 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol is NC(CO)c1sncc1Cl.
What is the InChIKey of 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol?
The InChIKey is QBHWIGHOLVMMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2OS/c6-3-1-8-10-5(3)4(7)2-9/h1,4,9H,2,7H2.
What are the key properties of 2-amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol?
2-amino-2-(4-chloro-1,2-thiazol-5-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-2-(4-chloro-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 84656713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).