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

C6H10N4OS2 — CID 63701614

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESNc1nnc(SC2CNCC2O)s1
InChIInChI=1S/C6H10N4OS2/c7-5-9-10-6(13-5)12-4-2-8-1-3(4)11/h3-4,8,11H,1-2H2,(H2,7,9)
InChIKeyWRLZLRCDZTXNKT-UHFFFAOYSA-N
MW218.31 g/mol
LogP-0.45
Rot. Bonds2

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

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (PubChem CID 63701614) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
PubChem CID63701614
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESNc1nnc(SC2CNCC2O)s1
InChIInChI=1S/C6H10N4OS2/c7-5-9-10-6(13-5)12-4-2-8-1-3(4)11/h3-4,8,11H,1-2H2,(H2,7,9)
InChIKeyWRLZLRCDZTXNKT-UHFFFAOYSA-N
XLogP-0.45
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (CID 63701614) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is Nc1nnc(SC2CNCC2O)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The InChIKey is WRLZLRCDZTXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c7-5-9-10-6(13-5)12-4-2-8-1-3(4)11/h3-4,8,11H,1-2H2,(H2,7,9).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol has a molecular weight of 218.31 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 63701614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).