1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol

C8H15N3O2S2 — CID 63930063

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol
SMILESCOCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H15N3O2S2/c1-11(2)7-9-10-8(15-7)14-5-6(12)4-13-3/h6,12H,4-5H2,1-3H3
InChIKeyDIIYIAJZDHEVMQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.70
Rot. Bonds6

About 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol (PubChem CID 63930063) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol
PubChem CID63930063
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol
SMILESCOCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H15N3O2S2/c1-11(2)7-9-10-8(15-7)14-5-6(12)4-13-3/h6,12H,4-5H2,1-3H3
InChIKeyDIIYIAJZDHEVMQ-UHFFFAOYSA-N
XLogP0.70
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol (CID 63930063) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol is COCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol?
The InChIKey is DIIYIAJZDHEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-11(2)7-9-10-8(15-7)14-5-6(12)4-13-3/h6,12H,4-5H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-methoxypropan-2-ol is sourced from PubChem (CID 63930063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).