N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide

C17H17N7O2S — CID 46804690

IUPACN-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H17N7O2S/c25-17(13-1-3-14(4-2-13)24-12-19-21-22-24)20-18-11-15-5-6-16(27-15)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,20,25)/b18-11+
InChIKeyQTGJBFUGTFEJHU-WOJGMQOQSA-N
MW383.44 g/mol
LogP1.32
Rot. Bonds5

About N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide

N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide (PubChem CID 46804690) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
PubChem CID46804690
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC NameN-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H17N7O2S/c25-17(13-1-3-14(4-2-13)24-12-19-21-22-24)20-18-11-15-5-6-16(27-15)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,20,25)/b18-11+
InChIKeyQTGJBFUGTFEJHU-WOJGMQOQSA-N
XLogP1.32
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
CID 9352428
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 2465190
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902069
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 2354777
N-[(2-fluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4854323
methyl 4-[(E)-[[4-(tetrazol-1-yl)benzoyl]hydrazinylidene]methyl]benzoate
CID 42998177
N-[(E)-(3,4-difluorophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42999207
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998138
N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4850354

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide (CID 46804690) is N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide is O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
The InChIKey is QTGJBFUGTFEJHU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N7O2S/c25-17(13-1-3-14(4-2-13)24-12-19-21-22-24)20-18-11-15-5-6-16(27-15)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,20,25)/b18-11+.
What are the key properties of N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide?
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide has a molecular weight of 383.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46804690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).