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

C14H22N4O2S2 — CID 2372699

IUPAC2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(NC2CCCCC2)s1)N1CCOCC1
InChIInChI=1S/C14H22N4O2S2/c19-12(18-6-8-20-9-7-18)10-21-14-17-16-13(22-14)15-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16)
InChIKeyKVYGTSSYGSCOLL-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.23
Rot. Bonds5

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

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 2372699) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID2372699
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(NC2CCCCC2)s1)N1CCOCC1
InChIInChI=1S/C14H22N4O2S2/c19-12(18-6-8-20-9-7-18)10-21-14-17-16-13(22-14)15-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16)
InChIKeyKVYGTSSYGSCOLL-UHFFFAOYSA-N
XLogP2.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 2372699) is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is O=C(CSc1nnc(NC2CCCCC2)s1)N1CCOCC1.
What is the InChIKey of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is KVYGTSSYGSCOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c19-12(18-6-8-20-9-7-18)10-21-14-17-16-13(22-14)15-11-4-2-1-3-5-11/h11H,1-10H2,(H,15,16).
What are the key properties of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 342.49 g/mol, XLogP of 2.23, 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-ylethanone is sourced from PubChem (CID 2372699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).