2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol

C13H24N4OS2 — CID 64805669

IUPAC2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
SMILESCN(C)c1nnc(SCCCC(C)(CO)NC2CC2)s1
InChIInChI=1S/C13H24N4OS2/c1-13(9-18,14-10-5-6-10)7-4-8-19-12-16-15-11(20-12)17(2)3/h10,14,18H,4-9H2,1-3H3
InChIKeyIRHSCTMKQMOTIV-UHFFFAOYSA-N
MW316.50 g/mol
LogP1.98
Rot. Bonds9

About 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol

2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol (PubChem CID 64805669) has the molecular formula C13H24N4OS2 and a molecular weight of 316.50 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
PubChem CID64805669
Molecular FormulaC13H24N4OS2
Molecular Weight316.50 g/mol
Exact Mass316.14
IUPAC Name2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
SMILESCN(C)c1nnc(SCCCC(C)(CO)NC2CC2)s1
InChIInChI=1S/C13H24N4OS2/c1-13(9-18,14-10-5-6-10)7-4-8-19-12-16-15-11(20-12)17(2)3/h10,14,18H,4-9H2,1-3H3
InChIKeyIRHSCTMKQMOTIV-UHFFFAOYSA-N
XLogP1.98
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-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 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol (CID 64805669) is 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol is CN(C)c1nnc(SCCCC(C)(CO)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
The InChIKey is IRHSCTMKQMOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS2/c1-13(9-18,14-10-5-6-10)7-4-8-19-12-16-15-11(20-12)17(2)3/h10,14,18H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol?
2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol has a molecular weight of 316.50 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol is sourced from PubChem (CID 64805669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).