2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol

C6H10N2OS2 — CID 66105296

IUPAC2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol
SMILESCC(CO)CSc1ncns1
InChIInChI=1S/C6H10N2OS2/c1-5(2-9)3-10-6-7-4-8-11-6/h4-5,9H,2-3H2,1H3
InChIKeyFTYWFWFPZIUJFB-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol

2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol (PubChem CID 66105296) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol
PubChem CID66105296
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol
SMILESCC(CO)CSc1ncns1
InChIInChI=1S/C6H10N2OS2/c1-5(2-9)3-10-6-7-4-8-11-6/h4-5,9H,2-3H2,1H3
InChIKeyFTYWFWFPZIUJFB-UHFFFAOYSA-N
XLogP1.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(1,2,4-thiadiazol-5-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

Related Compounds

1-Fluoro-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-2-ol
CID 131219860
5-(2-Methylpropylsulfanyl)-1,2,4-thiadiazole
CID 20337660
2-Methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid
CID 65272454
2-(1,2,4-Thiadiazol-5-ylsulfanyl)ethanol
CID 65274074
3-(1,2,4-Thiadiazol-5-ylsulfanyl)propan-1-ol
CID 66113164
3-(1,2,4-Thiadiazol-5-ylsulfanyl)butan-1-ol
CID 66136093
3-(1,2,4-Thiadiazol-5-ylsulfanyl)propane-1,2-diol
CID 79682075
5-[(2-Methyloxiran-2-yl)methylsulfanyl]-1,2,4-thiadiazole
CID 80426759
5-(1,2,4-Thiadiazol-5-ylsulfanyl)pentan-1-ol
CID 80426986
1-(1,2,4-Thiadiazol-5-ylsulfanyl)propan-2-ol
CID 80427011
3-(1,2,4-Thiadiazol-5-ylsulfanyl)butan-2-ol
CID 80427038
4-(1,2,4-Thiadiazol-5-ylsulfanyl)butan-1-ol
CID 80427067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol (CID 66105296) is 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol is CC(CO)CSc1ncns1.
What is the InChIKey of 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol?
The InChIKey is FTYWFWFPZIUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-5(2-9)3-10-6-7-4-8-11-6/h4-5,9H,2-3H2,1H3.
What are the key properties of 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol?
2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 66105296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).