5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol

C7H13N3OS — CID 106128419

IUPAC5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNc1nncs1
InChIInChI=1S/C7H13N3OS/c1-6(11)3-2-4-8-7-10-9-5-12-7/h5-6,11H,2-4H2,1H3,(H,8,10)
InChIKeyGYYCIWHIOXJVRM-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.11
Rot. Bonds5

About 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol

5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol (PubChem CID 106128419) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol
PubChem CID106128419
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNc1nncs1
InChIInChI=1S/C7H13N3OS/c1-6(11)3-2-4-8-7-10-9-5-12-7/h5-6,11H,2-4H2,1H3,(H,8,10)
InChIKeyGYYCIWHIOXJVRM-UHFFFAOYSA-N
XLogP1.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol (CID 106128419) is 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol is CC(O)CCCNc1nncs1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol?
The InChIKey is GYYCIWHIOXJVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6(11)3-2-4-8-7-10-9-5-12-7/h5-6,11H,2-4H2,1H3,(H,8,10).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol?
5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol has a molecular weight of 187.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol is sourced from PubChem (CID 106128419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).