4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile

C21H14N4S2 — CID 23910735

IUPAC4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
SMILESN#Cc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\c2ccccc2)cc1
InChIInChI=1S/C21H14N4S2/c22-13-16-8-10-17(11-9-16)14-23-25-19(20-7-4-12-26-20)15-27-21(25)24-18-5-2-1-3-6-18/h1-12,14-15H/b23-14?,24-21-
InChIKeyMLSBOVNBUJKQPS-RQVKWZPWSA-N
MW386.51 g/mol
LogP5.26
Rot. Bonds4

About 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile

4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile (PubChem CID 23910735) has the molecular formula C21H14N4S2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
PubChem CID23910735
Molecular FormulaC21H14N4S2
Molecular Weight386.51 g/mol
Exact Mass386.07
IUPAC Name4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
SMILESN#Cc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\c2ccccc2)cc1
InChIInChI=1S/C21H14N4S2/c22-13-16-8-10-17(11-9-16)14-23-25-19(20-7-4-12-26-20)15-27-21(25)24-18-5-2-1-3-6-18/h1-12,14-15H/b23-14?,24-21-
InChIKeyMLSBOVNBUJKQPS-RQVKWZPWSA-N
XLogP5.26
TPSA53.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795654
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884154
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23882028
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 2455890
3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23987069
4-[(E)-[4-(2,5-dimethoxyphenyl)-2-(2,3-dimethylphenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906089
4-[[4-(2,5-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23857230
4-[[4-(4-chlorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23963868
3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 135799806
N-(4-chlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23763669

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile (CID 23910735) is 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile is N#Cc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\c2ccccc2)cc1.
What is the InChIKey of 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
The InChIKey is MLSBOVNBUJKQPS-RQVKWZPWSA-N. The full InChI is InChI=1S/C21H14N4S2/c22-13-16-8-10-17(11-9-16)14-23-25-19(20-7-4-12-26-20)15-27-21(25)24-18-5-2-1-3-6-18/h1-12,14-15H/b23-14?,24-21-.
What are the key properties of 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile has a molecular weight of 386.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile is sourced from PubChem (CID 23910735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).