2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide

C6H11N3O3S2 — CID 71934428

IUPAC2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCCCO)s1
InChIInChI=1S/C6H11N3O3S2/c7-14(11,12)5-4-9-6(13-5)8-2-1-3-10/h4,10H,1-3H2,(H,8,9)(H2,7,11,12)
InChIKeyPIQQSPZODBLJTG-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.42
Rot. Bonds5

About 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide

2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 71934428) has the molecular formula C6H11N3O3S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide
PubChem CID71934428
Molecular FormulaC6H11N3O3S2
Molecular Weight237.31 g/mol
Exact Mass237.02
IUPAC Name2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCCCO)s1
InChIInChI=1S/C6H11N3O3S2/c7-14(11,12)5-4-9-6(13-5)8-2-1-3-10/h4,10H,1-3H2,(H,8,9)(H2,7,11,12)
InChIKeyPIQQSPZODBLJTG-UHFFFAOYSA-N
XLogP-0.42
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide (CID 71934428) is 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCCCO)s1.
What is the InChIKey of 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is PIQQSPZODBLJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3S2/c7-14(11,12)5-4-9-6(13-5)8-2-1-3-10/h4,10H,1-3H2,(H,8,9)(H2,7,11,12).
What are the key properties of 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide?
2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 237.31 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 71934428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).