N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

C29H24N4S — CID 2364664

IUPACN-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\CCc1ccccc1)c1ccccn1
InChIInChI=1S/C29H24N4S/c1-3-9-23(10-4-1)18-20-31-29-33(32-21-27-13-7-8-19-30-27)28(22-34-29)26-16-14-25(15-17-26)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2/b31-29-,32-21?
InChIKeyQVKOBBVPOLATDP-NHSUXCQZSA-N
MW460.61 g/mol
LogP6.30
Rot. Bonds7

About N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2364664) has the molecular formula C29H24N4S and a molecular weight of 460.61 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2364664
Molecular FormulaC29H24N4S
Molecular Weight460.61 g/mol
Exact Mass460.17
IUPAC NameN-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC(=Nn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\CCc1ccccc1)c1ccccn1
InChIInChI=1S/C29H24N4S/c1-3-9-23(10-4-1)18-20-31-29-33(32-21-27-13-7-8-19-30-27)28(22-34-29)26-16-14-25(15-17-26)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2/b31-29-,32-21?
InChIKeyQVKOBBVPOLATDP-NHSUXCQZSA-N
XLogP6.30
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
2-[[4-(4-fluorophenyl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135824895
4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2455204
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2496340
(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 9368245
2-hydroxy-5-[2-prop-2-enylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]benzamide
CID 8716107
(Z)-N-(2-methoxyethyl)-4-(4-methyl-3-nitrophenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 8716136
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
(Z)-N-(2-methoxyethyl)-4-phenyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9368300
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2364664) is N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is C(=Nn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\CCc1ccccc1)c1ccccn1.
What is the InChIKey of N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is QVKOBBVPOLATDP-NHSUXCQZSA-N. The full InChI is InChI=1S/C29H24N4S/c1-3-9-23(10-4-1)18-20-31-29-33(32-21-27-13-7-8-19-30-27)28(22-34-29)26-16-14-25(15-17-26)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2/b31-29-,32-21?.
What are the key properties of N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 460.61 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2364664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).