4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol

C6H9N3OS2 — CID 63702652

IUPAC4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol
SMILESOC1CNCC1Sc1nncs1
InChIInChI=1S/C6H9N3OS2/c10-4-1-7-2-5(4)12-6-9-8-3-11-6/h3-5,7,10H,1-2H2
InChIKeyOUZLSHXHRPIKIT-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.04
Rot. Bonds2

About 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol

4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol (PubChem CID 63702652) has the molecular formula C6H9N3OS2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol
PubChem CID63702652
Molecular FormulaC6H9N3OS2
Molecular Weight203.29 g/mol
Exact Mass203.02
IUPAC Name4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol
SMILESOC1CNCC1Sc1nncs1
InChIInChI=1S/C6H9N3OS2/c10-4-1-7-2-5(4)12-6-9-8-3-11-6/h3-5,7,10H,1-2H2
InChIKeyOUZLSHXHRPIKIT-UHFFFAOYSA-N
XLogP-0.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166401
1-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166402
1-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166403
1-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43188141
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 63705020
4-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 115383375
(3R,4R)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 126847736

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol?
The IUPAC name of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol (CID 63702652) is 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol is OC1CNCC1Sc1nncs1.
What is the InChIKey of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol?
The InChIKey is OUZLSHXHRPIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS2/c10-4-1-7-2-5(4)12-6-9-8-3-11-6/h3-5,7,10H,1-2H2.
What are the key properties of 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol?
4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol has a molecular weight of 203.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol is sourced from PubChem (CID 63702652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).