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

C15H19N5O2S2 — CID 3969431

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(Sc1nnc(N)s1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N5O2S2/c1-10(23-15-19-18-14(16)24-15)13(21)17-11-2-4-12(5-3-11)20-6-8-22-9-7-20/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,21)
InChIKeyKKTDVGJPSIKDCY-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.08
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 3969431) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID3969431
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(Sc1nnc(N)s1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N5O2S2/c1-10(23-15-19-18-14(16)24-15)13(21)17-11-2-4-12(5-3-11)20-6-8-22-9-7-20/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,21)
InChIKeyKKTDVGJPSIKDCY-UHFFFAOYSA-N
XLogP2.08
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.08
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-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 3969431) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide is CC(Sc1nnc(N)s1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is KKTDVGJPSIKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c1-10(23-15-19-18-14(16)24-15)13(21)17-11-2-4-12(5-3-11)20-6-8-22-9-7-20/h2-5,10H,6-9H2,1H3,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 3969431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).