3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol

C6H11N3OS — CID 64982534

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESCc1nnc(NCCCO)s1
InChIInChI=1S/C6H11N3OS/c1-5-8-9-6(11-5)7-3-2-4-10/h10H,2-4H2,1H3,(H,7,9)
InChIKeyUYDKSGVXSCWTPG-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.64
Rot. Bonds4

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol

3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 64982534) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
PubChem CID64982534
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESCc1nnc(NCCCO)s1
InChIInChI=1S/C6H11N3OS/c1-5-8-9-6(11-5)7-3-2-4-10/h10H,2-4H2,1H3,(H,7,9)
InChIKeyUYDKSGVXSCWTPG-UHFFFAOYSA-N
XLogP0.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-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 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (CID 64982534) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is Cc1nnc(NCCCO)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is UYDKSGVXSCWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5-8-9-6(11-5)7-3-2-4-10/h10H,2-4H2,1H3,(H,7,9).
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 64982534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).