N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine

C26H22N4OS — CID 135799678

IUPACN-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H22N4OS/c1-31-22-13-11-20(12-14-22)25-18-32-26(28-15-19-7-3-2-4-8-19)30(25)29-17-21-16-27-24-10-6-5-9-23(21)24/h2-14,16-18,27H,15H2,1H3/b28-26-,29-17?
InChIKeyTUENQHFQOONNIH-KJXGIHTLSA-N
MW438.56 g/mol
LogP5.69
Rot. Bonds6

About N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine

N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 135799678) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
PubChem CID135799678
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC NameN-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H22N4OS/c1-31-22-13-11-20(12-14-22)25-18-32-26(28-15-19-7-3-2-4-8-19)30(25)29-17-21-16-27-24-10-6-5-9-23(21)24/h2-14,16-18,27H,15H2,1H3/b28-26-,29-17?
InChIKeyTUENQHFQOONNIH-KJXGIHTLSA-N
XLogP5.69
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine 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-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 135778600
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 135765719
4-(2,4-dimethoxyphenyl)-3-(1H-indol-3-ylmethylideneamino)-N-propan-2-yl-1,3-thiazol-2-imine
CID 135593082
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
3-(1H-indol-3-ylmethylideneamino)-4-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 135848383
4-[[2-benzylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135814649
(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500
N-benzyl-4-(furan-2-yl)-3-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23878510
4-[[2-benzylimino-4-(2,4-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135841026
4-(1-benzofuran-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 135843302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 135799678) is N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\Cc3ccccc3)n2N=Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
The InChIKey is TUENQHFQOONNIH-KJXGIHTLSA-N. The full InChI is InChI=1S/C26H22N4OS/c1-31-22-13-11-20(12-14-22)25-18-32-26(28-15-19-7-3-2-4-8-19)30(25)29-17-21-16-27-24-10-6-5-9-23(21)24/h2-14,16-18,27H,15H2,1H3/b28-26-,29-17?.
What are the key properties of N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine?
N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 438.56 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 135799678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).