2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide

C16H17N5OS — CID 8975909

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc2ccccc21)c1cc(C)sc1C
InChIInChI=1S/C16H17N5OS/c1-10-8-13(12(3)23-10)11(2)17-19-16(22)9-21-15-7-5-4-6-14(15)18-20-21/h4-8H,9H2,1-3H3,(H,19,22)/b17-11-
InChIKeyXBYCSKJHMIGGDQ-BOPFTXTBSA-N
MW327.41 g/mol
LogP2.65
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide (PubChem CID 8975909) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
PubChem CID8975909
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc2ccccc21)c1cc(C)sc1C
InChIInChI=1S/C16H17N5OS/c1-10-8-13(12(3)23-10)11(2)17-19-16(22)9-21-15-7-5-4-6-14(15)18-20-21/h4-8H,9H2,1-3H3,(H,19,22)/b17-11-
InChIKeyXBYCSKJHMIGGDQ-BOPFTXTBSA-N
XLogP2.65
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
CID 4259013
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[(Z)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 6258532
2-(benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 5080469
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 8975762
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
3-(benzotriazol-1-yl)-N-[1-(2-hydroxyphenyl)ethylideneamino]propanamide
CID 949797

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide (CID 8975909) is 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cn1nnc2ccccc21)c1cc(C)sc1C.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide?
The InChIKey is XBYCSKJHMIGGDQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10-8-13(12(3)23-10)11(2)17-19-16(22)9-21-15-7-5-4-6-14(15)18-20-21/h4-8H,9H2,1-3H3,(H,19,22)/b17-11-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide is sourced from PubChem (CID 8975909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).