3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one

C13H21N5O2S2 — CID 70638027

IUPAC3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one
SMILESCCCN1CC(N2CCOCC2)N(c2nnc(SC)s2)C1=O
InChIInChI=1S/C13H21N5O2S2/c1-3-4-17-9-10(16-5-7-20-8-6-16)18(13(17)19)11-14-15-12(21-2)22-11/h10H,3-9H2,1-2H3
InChIKeyZSZLJRSKVXQZSJ-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.57
Rot. Bonds5

About 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one

3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one (PubChem CID 70638027) has the molecular formula C13H21N5O2S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one
PubChem CID70638027
Molecular FormulaC13H21N5O2S2
Molecular Weight343.48 g/mol
Exact Mass343.11
IUPAC Name3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one
SMILESCCCN1CC(N2CCOCC2)N(c2nnc(SC)s2)C1=O
InChIInChI=1S/C13H21N5O2S2/c1-3-4-17-9-10(16-5-7-20-8-6-16)18(13(17)19)11-14-15-12(21-2)22-11/h10H,3-9H2,1-2H3
InChIKeyZSZLJRSKVXQZSJ-UHFFFAOYSA-N
XLogP1.57
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one?
The IUPAC name of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one (CID 70638027) is 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one.
What is the SMILES notation for 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one?
The canonical SMILES for 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one is CCCN1CC(N2CCOCC2)N(c2nnc(SC)s2)C1=O.
What is the InChIKey of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one?
The InChIKey is ZSZLJRSKVXQZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S2/c1-3-4-17-9-10(16-5-7-20-8-6-16)18(13(17)19)11-14-15-12(21-2)22-11/h10H,3-9H2,1-2H3.
What are the key properties of 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one?
3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one has a molecular weight of 343.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-1-propylimidazolidin-2-one is sourced from PubChem (CID 70638027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).