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

C7H11N3OS3 — CID 115383375

IUPAC4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESCSc1nnc(SC2CNCC2O)s1
InChIInChI=1S/C7H11N3OS3/c1-12-6-9-10-7(14-6)13-5-3-8-2-4(5)11/h4-5,8,11H,2-3H2,1H3
InChIKeyWWIXKZUKZIZHKU-UHFFFAOYSA-N
MW249.39 g/mol
LogP0.68
Rot. Bonds3

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

4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (PubChem CID 115383375) has the molecular formula C7H11N3OS3 and a molecular weight of 249.39 g/mol. Its IUPAC name is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
PubChem CID115383375
Molecular FormulaC7H11N3OS3
Molecular Weight249.39 g/mol
Exact Mass249.01
IUPAC Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESCSc1nnc(SC2CNCC2O)s1
InChIInChI=1S/C7H11N3OS3/c1-12-6-9-10-7(14-6)13-5-3-8-2-4(5)11/h4-5,8,11H,2-3H2,1H3
InChIKeyWWIXKZUKZIZHKU-UHFFFAOYSA-N
XLogP0.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 63701614
4-(1,3,4-Thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol
CID 63702652
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 63705020
4-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol
CID 63737836
1-(2-Methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 113317903
1-(Ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 115383077
1-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propylamino)propan-2-ol
CID 115383078
1-(Methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 115383080
1-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 115383081
(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-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (CID 115383375) is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is CSc1nnc(SC2CNCC2O)s1.
What is the InChIKey of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The InChIKey is WWIXKZUKZIZHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS3/c1-12-6-9-10-7(14-6)13-5-3-8-2-4(5)11/h4-5,8,11H,2-3H2,1H3.
What are the key properties of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol has a molecular weight of 249.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 115383375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).