3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline

C15H16ClN3OS — CID 6302768

IUPAC3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
SMILESClc1cccc(N/N=C\c2ccc(N3CCOCC3)s2)c1
InChIInChI=1S/C15H16ClN3OS/c16-12-2-1-3-13(10-12)18-17-11-14-4-5-15(21-14)19-6-8-20-9-7-19/h1-5,10-11,18H,6-9H2/b17-11-
InChIKeyWERBWWDCJCBAOD-BOPFTXTBSA-N
MW321.83 g/mol
LogP3.68
Rot. Bonds4

About 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline

3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline (PubChem CID 6302768) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
PubChem CID6302768
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
SMILESClc1cccc(N/N=C\c2ccc(N3CCOCC3)s2)c1
InChIInChI=1S/C15H16ClN3OS/c16-12-2-1-3-13(10-12)18-17-11-14-4-5-15(21-14)19-6-8-20-9-7-19/h1-5,10-11,18H,6-9H2/b17-11-
InChIKeyWERBWWDCJCBAOD-BOPFTXTBSA-N
XLogP3.68
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline 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

N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitroaniline
CID 6282814
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121609
(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
CID 8980480
2-(3-chlorophenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 3692189
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
2-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359836
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 4147907
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
CID 9352428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline (CID 6302768) is 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline is Clc1cccc(N/N=C\c2ccc(N3CCOCC3)s2)c1.
What is the InChIKey of 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
The InChIKey is WERBWWDCJCBAOD-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-12-2-1-3-13(10-12)18-17-11-14-4-5-15(21-14)19-6-8-20-9-7-19/h1-5,10-11,18H,6-9H2/b17-11-.
What are the key properties of 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline has a molecular weight of 321.83 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline is sourced from PubChem (CID 6302768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).