2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol

C6H10N2OS — CID 20699084

IUPAC2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol
SMILESCNc1ncc(CCO)s1
InChIInChI=1S/C6H10N2OS/c1-7-6-8-4-5(10-6)2-3-9/h4,9H,2-3H2,1H3,(H,7,8)
InChIKeyBRARCFLHDCCSLA-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.72
Rot. Bonds3

About 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol

2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol (PubChem CID 20699084) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol
PubChem CID20699084
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol
SMILESCNc1ncc(CCO)s1
InChIInChI=1S/C6H10N2OS/c1-7-6-8-4-5(10-6)2-3-9/h4,9H,2-3H2,1H3,(H,7,8)
InChIKeyBRARCFLHDCCSLA-UHFFFAOYSA-N
XLogP0.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol (CID 20699084) is 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol is CNc1ncc(CCO)s1.
What is the InChIKey of 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The InChIKey is BRARCFLHDCCSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-6-8-4-5(10-6)2-3-9/h4,9H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol?
2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol has a molecular weight of 158.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 20699084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).