4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol

C9H16N2OS — CID 65273411

IUPAC4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCc1nsc(C(C(C)C)C(C)O)n1
InChIInChI=1S/C9H16N2OS/c1-5(2)8(6(3)12)9-10-7(4)11-13-9/h5-6,8,12H,1-4H3
InChIKeyGSKPJWBTWMYMTE-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.97
Rot. Bonds3

About 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol

4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (PubChem CID 65273411) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
PubChem CID65273411
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCc1nsc(C(C(C)C)C(C)O)n1
InChIInChI=1S/C9H16N2OS/c1-5(2)8(6(3)12)9-10-7(4)11-13-9/h5-6,8,12H,1-4H3
InChIKeyGSKPJWBTWMYMTE-UHFFFAOYSA-N
XLogP1.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (CID 65273411) is 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is Cc1nsc(C(C(C)C)C(C)O)n1.
What is the InChIKey of 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The InChIKey is GSKPJWBTWMYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-5(2)8(6(3)12)9-10-7(4)11-13-9/h5-6,8,12H,1-4H3.
What are the key properties of 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 65273411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).