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

C6H10N2OS — CID 65273469

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCc1nsc(CC(C)O)n1
InChIInChI=1S/C6H10N2OS/c1-4(9)3-6-7-5(2)8-10-6/h4,9H,3H2,1-2H3
InChIKeyCQGMMHNFWGBFLI-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.77
Rot. Bonds2

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol (PubChem CID 65273469) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
PubChem CID65273469
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCc1nsc(CC(C)O)n1
InChIInChI=1S/C6H10N2OS/c1-4(9)3-6-7-5(2)8-10-6/h4,9H,3H2,1-2H3
InChIKeyCQGMMHNFWGBFLI-UHFFFAOYSA-N
XLogP0.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol (CID 65273469) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol is Cc1nsc(CC(C)O)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The InChIKey is CQGMMHNFWGBFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(9)3-6-7-5(2)8-10-6/h4,9H,3H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol has a molecular weight of 158.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 65273469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).