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

C20H27N5O2S2 — CID 2365962

IUPAC2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H27N5O2S2/c26-18(21-16-6-8-17(9-7-16)25-10-12-27-13-11-25)14-28-20-24-23-19(29-20)22-15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H,21,26)(H,22,23)
InChIKeyOUWLEYKNUVTUOV-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.85
Rot. Bonds7

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

2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2365962) has the molecular formula C20H27N5O2S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2365962
Molecular FormulaC20H27N5O2S2
Molecular Weight433.60 g/mol
Exact Mass433.16
IUPAC Name2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H27N5O2S2/c26-18(21-16-6-8-17(9-7-16)25-10-12-27-13-11-25)14-28-20-24-23-19(29-20)22-15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H,21,26)(H,22,23)
InChIKeyOUWLEYKNUVTUOV-UHFFFAOYSA-N
XLogP3.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2365962) is 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is OUWLEYKNUVTUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S2/c26-18(21-16-6-8-17(9-7-16)25-10-12-27-13-11-25)14-28-20-24-23-19(29-20)22-15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H,21,26)(H,22,23).
What are the key properties of 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 433.60 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).