4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide

C14H15N3OS — CID 9070522

IUPAC4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(N)cc1)c1cccs1
InChIInChI=1S/C14H15N3OS/c1-2-12(13-4-3-9-19-13)16-17-14(18)10-5-7-11(15)8-6-10/h3-9H,2,15H2,1H3,(H,17,18)/b16-12-
InChIKeyCQQRAYRARYIXQC-VBKFSLOCSA-N
MW273.36 g/mol
LogP2.87
Rot. Bonds4

About 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide

4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide (PubChem CID 9070522) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
PubChem CID9070522
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
SMILESCC/C(=N/NC(=O)c1ccc(N)cc1)c1cccs1
InChIInChI=1S/C14H15N3OS/c1-2-12(13-4-3-9-19-13)16-17-14(18)10-5-7-11(15)8-6-10/h3-9H,2,15H2,1H3,(H,17,18)/b16-12-
InChIKeyCQQRAYRARYIXQC-VBKFSLOCSA-N
XLogP2.87
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972617
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
CID 6536354
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-bromo-N-[(E)-1-thiophen-2-ylpropylideneamino]-1H-pyrazole-5-carboxamide
CID 40648504
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide (CID 9070522) is 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide is CC/C(=N/NC(=O)c1ccc(N)cc1)c1cccs1.
What is the InChIKey of 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide?
The InChIKey is CQQRAYRARYIXQC-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-12(13-4-3-9-19-13)16-17-14(18)10-5-7-11(15)8-6-10/h3-9H,2,15H2,1H3,(H,17,18)/b16-12-.
What are the key properties of 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide?
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide has a molecular weight of 273.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide is sourced from PubChem (CID 9070522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).