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

C9H16N2OS2 — CID 66105754

IUPAC2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCCCc1nsc(SCC(C)CO)n1
InChIInChI=1S/C9H16N2OS2/c1-3-4-8-10-9(14-11-8)13-6-7(2)5-12/h7,12H,3-6H2,1-2H3
InChIKeyNVYOATTVZINWKC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.21
Rot. Bonds6

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

2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (PubChem CID 66105754) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
PubChem CID66105754
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
SMILESCCCc1nsc(SCC(C)CO)n1
InChIInChI=1S/C9H16N2OS2/c1-3-4-8-10-9(14-11-8)13-6-7(2)5-12/h7,12H,3-6H2,1-2H3
InChIKeyNVYOATTVZINWKC-UHFFFAOYSA-N
XLogP2.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol (CID 66105754) is 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is CCCc1nsc(SCC(C)CO)n1.
What is the InChIKey of 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
The InChIKey is NVYOATTVZINWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-3-4-8-10-9(14-11-8)13-6-7(2)5-12/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol?
2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 66105754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).