2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol

C6H11N3OS2 — CID 103363776

IUPAC2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
SMILESCSc1c(N)nsc1NCCO
InChIInChI=1S/C6H11N3OS2/c1-11-4-5(7)9-12-6(4)8-2-3-10/h8,10H,2-3H2,1H3,(H2,7,9)
InChIKeyKDMGUXRAYXEWQH-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.85
Rot. Bonds4

About 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol

2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol (PubChem CID 103363776) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
PubChem CID103363776
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
SMILESCSc1c(N)nsc1NCCO
InChIInChI=1S/C6H11N3OS2/c1-11-4-5(7)9-12-6(4)8-2-3-10/h8,10H,2-3H2,1H3,(H2,7,9)
InChIKeyKDMGUXRAYXEWQH-UHFFFAOYSA-N
XLogP0.85
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol (CID 103363776) is 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol is CSc1c(N)nsc1NCCO.
What is the InChIKey of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol?
The InChIKey is KDMGUXRAYXEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-11-4-5(7)9-12-6(4)8-2-3-10/h8,10H,2-3H2,1H3,(H2,7,9).
What are the key properties of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol?
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol has a molecular weight of 205.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol is sourced from PubChem (CID 103363776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).