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

C7H11N3OS2 — CID 63705020

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESCc1nnc(SC2CNCC2O)s1
InChIInChI=1S/C7H11N3OS2/c1-4-9-10-7(12-4)13-6-3-8-2-5(6)11/h5-6,8,11H,2-3H2,1H3
InChIKeyICRSFZWEULDVEJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP0.27
Rot. Bonds2

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

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (PubChem CID 63705020) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
PubChem CID63705020
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
SMILESCc1nnc(SC2CNCC2O)s1
InChIInChI=1S/C7H11N3OS2/c1-4-9-10-7(12-4)13-6-3-8-2-5(6)11/h5-6,8,11H,2-3H2,1H3
InChIKeyICRSFZWEULDVEJ-UHFFFAOYSA-N
XLogP0.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876762
1-(Cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876763
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 60876943
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propylamino)propan-2-ol
CID 60876944
1-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876945
4-(1,3,4-Thiadiazol-2-ylsulfanyl)pyrrolidin-3-ol
CID 63702652
1-Amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
CID 64813834
4-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol
CID 115383375
1-(Tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 115476322
1-(2-Methylpropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 115476323
1-(2-Methoxyethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 115476324
(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-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol (CID 63705020) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is Cc1nnc(SC2CNCC2O)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
The InChIKey is ICRSFZWEULDVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-4-9-10-7(12-4)13-6-3-8-2-5(6)11/h5-6,8,11H,2-3H2,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol has a molecular weight of 217.32 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidin-3-ol is sourced from PubChem (CID 63705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).