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

C14H17N5O2S2 — CID 2995574

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C14H17N5O2S2/c15-13-17-18-14(23-13)22-9-12(20)16-10-1-3-11(4-2-10)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,15,17)(H,16,20)
InChIKeyXAIDZQKTAAZESB-UHFFFAOYSA-N
MW351.46 g/mol
LogP1.69
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2995574) has the molecular formula C14H17N5O2S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2995574
Molecular FormulaC14H17N5O2S2
Molecular Weight351.46 g/mol
Exact Mass351.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C14H17N5O2S2/c15-13-17-18-14(23-13)22-9-12(20)16-10-1-3-11(4-2-10)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,15,17)(H,16,20)
InChIKeyXAIDZQKTAAZESB-UHFFFAOYSA-N
XLogP1.69
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.69
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)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2995574) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is Nc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XAIDZQKTAAZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S2/c15-13-17-18-14(23-13)22-9-12(20)16-10-1-3-11(4-2-10)19-5-7-21-8-6-19/h1-4H,5-9H2,(H2,15,17)(H,16,20).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 351.46 g/mol, XLogP of 1.69, 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)acetamide is sourced from PubChem (CID 2995574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).