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

C6H10N2OS — CID 28819519

IUPAC(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc([C@H](O)CN)cs1
InChIInChI=1S/C6H10N2OS/c1-4-8-5(3-10-4)6(9)2-7/h3,6,9H,2,7H2,1H3/t6-/m1/s1
InChIKeyKGPRDNIYQACYJQ-ZCFIWIBFSA-N
MW158.23 g/mol
LogP0.44
Rot. Bonds2

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

(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 28819519) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID28819519
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc([C@H](O)CN)cs1
InChIInChI=1S/C6H10N2OS/c1-4-8-5(3-10-4)6(9)2-7/h3,6,9H,2,7H2,1H3/t6-/m1/s1
InChIKeyKGPRDNIYQACYJQ-ZCFIWIBFSA-N
XLogP0.44
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 28819519) is (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc([C@H](O)CN)cs1.
What is the InChIKey of (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is KGPRDNIYQACYJQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4-8-5(3-10-4)6(9)2-7/h3,6,9H,2,7H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol?
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 158.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 28819519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).