5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one

C6H11N3O2S — CID 123246803

IUPAC5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCCN(N)c1sc(=O)[nH]c1O
InChIInChI=1S/C6H11N3O2S/c1-2-3-9(7)5-4(10)8-6(11)12-5/h10H,2-3,7H2,1H3,(H,8,11)
InChIKeyZEIUSVUKRVRRQL-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.23
Rot. Bonds3

About 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one

5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 123246803) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID123246803
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCCCN(N)c1sc(=O)[nH]c1O
InChIInChI=1S/C6H11N3O2S/c1-2-3-9(7)5-4(10)8-6(11)12-5/h10H,2-3,7H2,1H3,(H,8,11)
InChIKeyZEIUSVUKRVRRQL-UHFFFAOYSA-N
XLogP0.23
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one (CID 123246803) is 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one is CCCN(N)c1sc(=O)[nH]c1O.
What is the InChIKey of 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is ZEIUSVUKRVRRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-2-3-9(7)5-4(10)8-6(11)12-5/h10H,2-3,7H2,1H3,(H,8,11).
What are the key properties of 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 189.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(propyl)amino]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123246803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).