(1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol

C6H10N2OS — CID 10125085

IUPAC(1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol
SMILESCNC[C@@H](O)c1nccs1
InChIInChI=1S/C6H10N2OS/c1-7-4-5(9)6-8-2-3-10-6/h2-3,5,7,9H,4H2,1H3/t5-/m1/s1
InChIKeyLPLVAFVDSNSTMZ-RXMQYKEDSA-N
MW158.23 g/mol
LogP0.40
Rot. Bonds3

About (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol

(1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 10125085) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol
PubChem CID10125085
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol
SMILESCNC[C@@H](O)c1nccs1
InChIInChI=1S/C6H10N2OS/c1-7-4-5(9)6-8-2-3-10-6/h2-3,5,7,9H,4H2,1H3/t5-/m1/s1
InChIKeyLPLVAFVDSNSTMZ-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol (CID 10125085) is (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol is CNC[C@@H](O)c1nccs1.
What is the InChIKey of (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is LPLVAFVDSNSTMZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-4-5(9)6-8-2-3-10-6/h2-3,5,7,9H,4H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol?
(1R)-2-(methylamino)-1-(1,3-thiazol-2-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 (1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 10125085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).