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

C6H10N2OS — CID 59207393

IUPAC3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCc1nnc(CCCO)s1
InChIInChI=1S/C6H10N2OS/c1-5-7-8-6(10-5)3-2-4-9/h9H,2-4H2,1H3
InChIKeyJXKVCEBDMDPCKU-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.77
Rot. Bonds3

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

3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol (PubChem CID 59207393) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
PubChem CID59207393
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCc1nnc(CCCO)s1
InChIInChI=1S/C6H10N2OS/c1-5-7-8-6(10-5)3-2-4-9/h9H,2-4H2,1H3
InChIKeyJXKVCEBDMDPCKU-UHFFFAOYSA-N
XLogP0.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol (CID 59207393) is 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol is Cc1nnc(CCCO)s1.
What is the InChIKey of 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The InChIKey is JXKVCEBDMDPCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-7-8-6(10-5)3-2-4-9/h9H,2-4H2,1H3.
What are the key properties of 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol is sourced from PubChem (CID 59207393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).