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

C19H14ClN3S2 — CID 2746019

IUPAC1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C19H14ClN3S2/c1-13-2-6-15(7-3-13)21-12-17-18(22-19-23(17)10-11-24-19)25-16-8-4-14(20)5-9-16/h2-12H,1H3/b21-12+
InChIKeyMCKLARREWWLHRK-CIAFOILYSA-N
MW383.93 g/mol
LogP6.26
Rot. Bonds4

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

1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine (PubChem CID 2746019) has the molecular formula C19H14ClN3S2 and a molecular weight of 383.93 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine
PubChem CID2746019
Molecular FormulaC19H14ClN3S2
Molecular Weight383.93 g/mol
Exact Mass383.03
IUPAC Name1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C19H14ClN3S2/c1-13-2-6-15(7-3-13)21-12-17-18(22-19-23(17)10-11-24-19)25-16-8-4-14(20)5-9-16/h2-12H,1H3/b21-12+
InChIKeyMCKLARREWWLHRK-CIAFOILYSA-N
XLogP6.26
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.93
LogP ≤ 56.26
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 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine (CID 2746019) is 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)cc1.
What is the InChIKey of 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine?
The InChIKey is MCKLARREWWLHRK-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14ClN3S2/c1-13-2-6-15(7-3-13)21-12-17-18(22-19-23(17)10-11-24-19)25-16-8-4-14(20)5-9-16/h2-12H,1H3/b21-12+.
What are the key properties of 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine?
1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine has a molecular weight of 383.93 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 2746019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).