2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one

C15H24N4O2S2 — CID 24979242

IUPAC2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCC(Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCOCC1
InChIInChI=1S/C15H24N4O2S2/c1-11(13(20)19-7-9-21-10-8-19)22-15-18-17-14(23-15)16-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyTTWJLLLKRXSUQW-UHFFFAOYSA-N
MW356.52 g/mol
LogP2.62
Rot. Bonds5

About 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 24979242) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID24979242
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCC(Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCOCC1
InChIInChI=1S/C15H24N4O2S2/c1-11(13(20)19-7-9-21-10-8-19)22-15-18-17-14(23-15)16-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyTTWJLLLKRXSUQW-UHFFFAOYSA-N
XLogP2.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 24979242) is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one is CC(Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is TTWJLLLKRXSUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c1-11(13(20)19-7-9-21-10-8-19)22-15-18-17-14(23-15)16-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 356.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 24979242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).