3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one

C16H27N5O2S2 — CID 70638836

IUPAC3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
SMILESCCCCCCSc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1
InChIInChI=1S/C16H27N5O2S2/c1-3-4-5-6-11-24-15-18-17-14(25-15)21-13(12-19(2)16(21)22)20-7-9-23-10-8-20/h13H,3-12H2,1-2H3
InChIKeyFZQGMXBQMJEQIV-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.74
Rot. Bonds8

About 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one

3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one (PubChem CID 70638836) has the molecular formula C16H27N5O2S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
PubChem CID70638836
Molecular FormulaC16H27N5O2S2
Molecular Weight385.56 g/mol
Exact Mass385.16
IUPAC Name3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one
SMILESCCCCCCSc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1
InChIInChI=1S/C16H27N5O2S2/c1-3-4-5-6-11-24-15-18-17-14(25-15)21-13(12-19(2)16(21)22)20-7-9-23-10-8-20/h13H,3-12H2,1-2H3
InChIKeyFZQGMXBQMJEQIV-UHFFFAOYSA-N
XLogP2.74
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The IUPAC name of 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one (CID 70638836) is 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one.
What is the SMILES notation for 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The canonical SMILES for 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one is CCCCCCSc1nnc(N2C(=O)N(C)CC2N2CCOCC2)s1.
What is the InChIKey of 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
The InChIKey is FZQGMXBQMJEQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S2/c1-3-4-5-6-11-24-15-18-17-14(25-15)21-13(12-19(2)16(21)22)20-7-9-23-10-8-20/h13H,3-12H2,1-2H3.
What are the key properties of 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one?
3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one has a molecular weight of 385.56 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-morpholin-4-ylimidazolidin-2-one is sourced from PubChem (CID 70638836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).