2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol

C6H10N2OS2 — CID 84662868

IUPAC2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol
SMILESCSc1ncc(C(N)CO)s1
InChIInChI=1S/C6H10N2OS2/c1-10-6-8-2-5(11-6)4(7)3-9/h2,4,9H,3,7H2,1H3
InChIKeyWWBCZIAIORGXKO-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol

2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol (PubChem CID 84662868) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol
PubChem CID84662868
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol
SMILESCSc1ncc(C(N)CO)s1
InChIInChI=1S/C6H10N2OS2/c1-10-6-8-2-5(11-6)4(7)3-9/h2,4,9H,3,7H2,1H3
InChIKeyWWBCZIAIORGXKO-UHFFFAOYSA-N
XLogP0.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol (CID 84662868) is 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol is CSc1ncc(C(N)CO)s1.
What is the InChIKey of 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is WWBCZIAIORGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-10-6-8-2-5(11-6)4(7)3-9/h2,4,9H,3,7H2,1H3.
What are the key properties of 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol?
2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 190.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 84662868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).