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

C20H21N5O2S2 — CID 72713921

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESNc1nnc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)s1
InChIInChI=1S/C20H21N5O2S2/c21-19-23-24-20(29-19)28-13-14-1-3-15(4-2-14)18(26)22-16-5-7-17(8-6-16)25-9-11-27-12-10-25/h1-8H,9-13H2,(H2,21,23)(H,22,26)
InChIKeyWZHJZUYTFOIGLI-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.50
Rot. Bonds6

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

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 72713921) has the molecular formula C20H21N5O2S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID72713921
Molecular FormulaC20H21N5O2S2
Molecular Weight427.56 g/mol
Exact Mass427.11
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESNc1nnc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)s1
InChIInChI=1S/C20H21N5O2S2/c21-19-23-24-20(29-19)28-13-14-1-3-15(4-2-14)18(26)22-16-5-7-17(8-6-16)25-9-11-27-12-10-25/h1-8H,9-13H2,(H2,21,23)(H,22,26)
InChIKeyWZHJZUYTFOIGLI-UHFFFAOYSA-N
XLogP3.50
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7760139
2-[[5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4149083
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 9199575
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 2127030
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 46559415
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
CID 120541058
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 30091077
N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 17401021
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
CID 7065834
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 51579867

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 72713921) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide is Nc1nnc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is WZHJZUYTFOIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S2/c21-19-23-24-20(29-19)28-13-14-1-3-15(4-2-14)18(26)22-16-5-7-17(8-6-16)25-9-11-27-12-10-25/h1-8H,9-13H2,(H2,21,23)(H,22,26).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide?
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 427.56 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 72713921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).