1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

C8H13N3OS2 — CID 43166400

IUPAC1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CNC1CC1)CSc1nncs1
InChIInChI=1S/C8H13N3OS2/c12-7(3-9-6-1-2-6)4-13-8-11-10-5-14-8/h5-7,9,12H,1-4H2
InChIKeyPAHJLMCOPNZAMO-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.74
Rot. Bonds6

About 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 43166400) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID43166400
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CNC1CC1)CSc1nncs1
InChIInChI=1S/C8H13N3OS2/c12-7(3-9-6-1-2-6)4-13-8-11-10-5-14-8/h5-7,9,12H,1-4H2
InChIKeyPAHJLMCOPNZAMO-UHFFFAOYSA-N
XLogP0.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-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 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 43166400) is 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is OC(CNC1CC1)CSc1nncs1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is PAHJLMCOPNZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c12-7(3-9-6-1-2-6)4-13-8-11-10-5-14-8/h5-7,9,12H,1-4H2.
What are the key properties of 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 231.35 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43166400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).