N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine

C18H11Cl2N3S2 — CID 2746018

IUPACN-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESClc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C18H11Cl2N3S2/c19-12-1-5-14(6-2-12)21-11-16-17(22-18-23(16)9-10-24-18)25-15-7-3-13(20)4-8-15/h1-11H/b21-11+
InChIKeyNHTYECPJQRMTQV-SRZZPIQSSA-N
MW404.35 g/mol
LogP6.60
Rot. Bonds4

About N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine

N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine (PubChem CID 2746018) has the molecular formula C18H11Cl2N3S2 and a molecular weight of 404.35 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine
PubChem CID2746018
Molecular FormulaC18H11Cl2N3S2
Molecular Weight404.35 g/mol
Exact Mass402.98
IUPAC NameN-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine
SMILESClc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C18H11Cl2N3S2/c19-12-1-5-14(6-2-12)21-11-16-17(22-18-23(16)9-10-24-18)25-15-7-3-13(20)4-8-15/h1-11H/b21-11+
InChIKeyNHTYECPJQRMTQV-SRZZPIQSSA-N
XLogP6.60
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine (CID 2746018) is N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine is Clc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
The InChIKey is NHTYECPJQRMTQV-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H11Cl2N3S2/c19-12-1-5-14(6-2-12)21-11-16-17(22-18-23(16)9-10-24-18)25-15-7-3-13(20)4-8-15/h1-11H/b21-11+.
What are the key properties of N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine?
N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine has a molecular weight of 404.35 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanimine is sourced from PubChem (CID 2746018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).