2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide

C18H20N6OS — CID 8975880

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C18H20N6OS/c25-17(13-24-16-7-3-2-6-15(16)20-22-24)21-19-12-14-8-9-18(26-14)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,25)/b19-12-
InChIKeyUOESTIAIISBALH-UNOMPAQXSA-N
MW368.47 g/mol
LogP2.63
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 8975880) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
PubChem CID8975880
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C18H20N6OS/c25-17(13-24-16-7-3-2-6-15(16)20-22-24)21-19-12-14-8-9-18(26-14)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,25)/b19-12-
InChIKeyUOESTIAIISBALH-UNOMPAQXSA-N
XLogP2.63
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[(Z)-[[2-(benzotriazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6115175
2-(benzotriazol-1-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 4004517
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
2-(benzotriazol-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 6014121
2-(benzotriazol-1-yl)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 1219430
2-(benzotriazol-1-yl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 155807833
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478
2-(benzotriazol-1-yl)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 8978650
2-(benzotriazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6897555
2-(benzotriazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5412735
2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9237380

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide (CID 8975880) is 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C\c1ccc(N2CCCCC2)s1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is UOESTIAIISBALH-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-17(13-24-16-7-3-2-6-15(16)20-22-24)21-19-12-14-8-9-18(26-14)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,25)/b19-12-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 368.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 8975880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).