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

C8H14N4OS2 — CID 63737836

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol
SMILESCN(C)c1nnc(SC2CNCC2O)s1
InChIInChI=1S/C8H14N4OS2/c1-12(2)7-10-11-8(15-7)14-6-4-9-3-5(6)13/h5-6,9,13H,3-4H2,1-2H3
InChIKeyNSUMTJXZKHVOCK-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.03
Rot. Bonds3

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

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol (PubChem CID 63737836) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol
PubChem CID63737836
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol
SMILESCN(C)c1nnc(SC2CNCC2O)s1
InChIInChI=1S/C8H14N4OS2/c1-12(2)7-10-11-8(15-7)14-6-4-9-3-5(6)13/h5-6,9,13H,3-4H2,1-2H3
InChIKeyNSUMTJXZKHVOCK-UHFFFAOYSA-N
XLogP0.03
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol (CID 63737836) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol is CN(C)c1nnc(SC2CNCC2O)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol?
The InChIKey is NSUMTJXZKHVOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-12(2)7-10-11-8(15-7)14-6-4-9-3-5(6)13/h5-6,9,13H,3-4H2,1-2H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol has a molecular weight of 246.36 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 63737836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).