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

C7H12N2OS2 — CID 66103307

IUPAC2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCc1nsc(SCC(C)CO)n1
InChIInChI=1S/C7H12N2OS2/c1-5(3-10)4-11-7-8-6(2)9-12-7/h5,10H,3-4H2,1-2H3
InChIKeyFFQZSHMZAKTDST-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.57
Rot. Bonds4

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

2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (PubChem CID 66103307) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
PubChem CID66103307
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCc1nsc(SCC(C)CO)n1
InChIInChI=1S/C7H12N2OS2/c1-5(3-10)4-11-7-8-6(2)9-12-7/h5,10H,3-4H2,1-2H3
InChIKeyFFQZSHMZAKTDST-UHFFFAOYSA-N
XLogP1.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]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-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (CID 66103307) is 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is Cc1nsc(SCC(C)CO)n1.
What is the InChIKey of 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The InChIKey is FFQZSHMZAKTDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-5(3-10)4-11-7-8-6(2)9-12-7/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol has a molecular weight of 204.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 66103307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).