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

C6H10N2OS — CID 131036683

IUPAC2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol
SMILESCNCC(O)c1ccns1
InChIInChI=1S/C6H10N2OS/c1-7-4-5(9)6-2-3-8-10-6/h2-3,5,7,9H,4H2,1H3
InChIKeyPVIYUJQUYBKTJE-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.40
Rot. Bonds3

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

2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol (PubChem CID 131036683) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol
PubChem CID131036683
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol
SMILESCNCC(O)c1ccns1
InChIInChI=1S/C6H10N2OS/c1-7-4-5(9)6-2-3-8-10-6/h2-3,5,7,9H,4H2,1H3
InChIKeyPVIYUJQUYBKTJE-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
tert-butyl N-[3-hydroxy-3-(1,2-thiazol-5-yl)propyl]carbamate
CID 91189740
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
3-(1,2-Thiazol-5-yl)azetidin-3-ol
CID 131220900
Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
CID 21271229
1-(4-Chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84664430
1-(4-Bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84699874
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
2-(Dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 130917847
3-Amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 130927731
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131001966

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol (CID 131036683) is 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol is CNCC(O)c1ccns1.
What is the InChIKey of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol?
The InChIKey is PVIYUJQUYBKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-4-5(9)6-2-3-8-10-6/h2-3,5,7,9H,4H2,1H3.
What are the key properties of 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol?
2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol has a molecular weight of 158.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 131036683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).