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

C9H17N3O2S2 — CID 63934691

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H17N3O2S2/c1-4-14-5-7(13)6-15-9-11-10-8(16-9)12(2)3/h7,13H,4-6H2,1-3H3
InChIKeyOWGVNSOMYDSAFX-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.09
Rot. Bonds7

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol (PubChem CID 63934691) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol
PubChem CID63934691
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H17N3O2S2/c1-4-14-5-7(13)6-15-9-11-10-8(16-9)12(2)3/h7,13H,4-6H2,1-3H3
InChIKeyOWGVNSOMYDSAFX-UHFFFAOYSA-N
XLogP1.09
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.09
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-ethoxypropan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol (CID 63934691) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol is CCOCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol?
The InChIKey is OWGVNSOMYDSAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-14-5-7(13)6-15-9-11-10-8(16-9)12(2)3/h7,13H,4-6H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-ethoxypropan-2-ol has a molecular weight of 263.39 g/mol, XLogP of 1.09, 7 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-ethoxypropan-2-ol is sourced from PubChem (CID 63934691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).