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

C6H11N3OS2 — CID 43188141

IUPAC1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCNCC(O)CSc1nncs1
InChIInChI=1S/C6H11N3OS2/c1-7-2-5(10)3-11-6-9-8-4-12-6/h4-5,7,10H,2-3H2,1H3
InChIKeyQEYDKVRVOQPOKQ-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.21
Rot. Bonds5

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

1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 43188141) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID43188141
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCNCC(O)CSc1nncs1
InChIInChI=1S/C6H11N3OS2/c1-7-2-5(10)3-11-6-9-8-4-12-6/h4-5,7,10H,2-3H2,1H3
InChIKeyQEYDKVRVOQPOKQ-UHFFFAOYSA-N
XLogP0.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(methylamino)-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-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 43188141) is 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is CNCC(O)CSc1nncs1.
What is the InChIKey of 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is QEYDKVRVOQPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-7-2-5(10)3-11-6-9-8-4-12-6/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 205.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43188141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).