[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone

C14H20N4OS2 — CID 165434962

IUPAC[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc(C3CC3)ns2)C1)N1CCSCC1
InChIInChI=1S/C14H20N4OS2/c19-13(17-5-7-20-8-6-17)11-3-4-18(9-11)14-15-12(16-21-14)10-1-2-10/h10-11H,1-9H2
InChIKeyBPIYNSHVBXMYAS-UHFFFAOYSA-N
MW324.48 g/mol
LogP1.82
Rot. Bonds3

About [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 165434962) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID165434962
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc(C3CC3)ns2)C1)N1CCSCC1
InChIInChI=1S/C14H20N4OS2/c19-13(17-5-7-20-8-6-17)11-3-4-18(9-11)14-15-12(16-21-14)10-1-2-10/h10-11H,1-9H2
InChIKeyBPIYNSHVBXMYAS-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800065
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435103
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435704
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone (CID 165434962) is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2nc(C3CC3)ns2)C1)N1CCSCC1.
What is the InChIKey of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is BPIYNSHVBXMYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c19-13(17-5-7-20-8-6-17)11-3-4-18(9-11)14-15-12(16-21-14)10-1-2-10/h10-11H,1-9H2.
What are the key properties of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 324.48 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 165434962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).