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

C9H15N3OS2 — CID 64805994

IUPAC2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCC(CO)(CSc1nncs1)NC1CC1
InChIInChI=1S/C9H15N3OS2/c1-9(4-13,11-7-2-3-7)5-14-8-12-10-6-15-8/h6-7,11,13H,2-5H2,1H3
InChIKeyFYQJMMXSKGAWOY-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.13
Rot. Bonds6

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

2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (PubChem CID 64805994) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
PubChem CID64805994
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCC(CO)(CSc1nncs1)NC1CC1
InChIInChI=1S/C9H15N3OS2/c1-9(4-13,11-7-2-3-7)5-14-8-12-10-6-15-8/h6-7,11,13H,2-5H2,1H3
InChIKeyFYQJMMXSKGAWOY-UHFFFAOYSA-N
XLogP1.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)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 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (CID 64805994) is 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is CC(CO)(CSc1nncs1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is FYQJMMXSKGAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-9(4-13,11-7-2-3-7)5-14-8-12-10-6-15-8/h6-7,11,13H,2-5H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64805994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).