N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

C24H21ClN4OS2 — CID 23795654

IUPACN-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESClc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H21ClN4OS2/c25-19-5-7-20(8-6-19)27-24-29(22(17-32-24)23-2-1-15-31-23)26-16-18-3-9-21(10-4-18)28-11-13-30-14-12-28/h1-10,15-17H,11-14H2/b26-16?,27-24-
InChIKeyVDUWCYDLZQQZKN-PDQXPSKDSA-N
MW481.05 g/mol
LogP5.88
Rot. Bonds5

About N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23795654) has the molecular formula C24H21ClN4OS2 and a molecular weight of 481.05 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23795654
Molecular FormulaC24H21ClN4OS2
Molecular Weight481.05 g/mol
Exact Mass480.08
IUPAC NameN-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESClc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H21ClN4OS2/c25-19-5-7-20(8-6-19)27-24-29(22(17-32-24)23-2-1-15-31-23)26-16-18-3-9-21(10-4-18)28-11-13-30-14-12-28/h1-10,15-17H,11-14H2/b26-16?,27-24-
InChIKeyVDUWCYDLZQQZKN-PDQXPSKDSA-N
XLogP5.88
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.05
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23795654) is N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is Clc1ccc(/N=c2\scc(-c3cccs3)n2N=Cc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is VDUWCYDLZQQZKN-PDQXPSKDSA-N. The full InChI is InChI=1S/C24H21ClN4OS2/c25-19-5-7-20(8-6-19)27-24-29(22(17-32-24)23-2-1-15-31-23)26-16-18-3-9-21(10-4-18)28-11-13-30-14-12-28/h1-10,15-17H,11-14H2/b26-16?,27-24-.
What are the key properties of N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 481.05 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23795654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).