2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine

C24H18N2OS3 — CID 41057689

IUPAC2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine
SMILESCSc1ccc(-c2cc(=Nc3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1
InChIInChI=1S/C24H18N2OS3/c1-15-23(22-8-5-13-29-22)26-24(30-15)25-19-14-21(16-9-11-17(28-2)12-10-16)27-20-7-4-3-6-18(19)20/h3-14H,1-2H3
InChIKeyYWHMZAOAQBYLJN-UHFFFAOYSA-N
MW446.62 g/mol
LogP7.55
Rot. Bonds4

About 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine

2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine (PubChem CID 41057689) has the molecular formula C24H18N2OS3 and a molecular weight of 446.62 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine
PubChem CID41057689
Molecular FormulaC24H18N2OS3
Molecular Weight446.62 g/mol
Exact Mass446.06
IUPAC Name2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine
SMILESCSc1ccc(-c2cc(=Nc3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1
InChIInChI=1S/C24H18N2OS3/c1-15-23(22-8-5-13-29-22)26-24(30-15)25-19-14-21(16-9-11-17(28-2)12-10-16)27-20-7-4-3-6-18(19)20/h3-14H,1-2H3
InChIKeyYWHMZAOAQBYLJN-UHFFFAOYSA-N
XLogP7.55
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026
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CID 3487159
(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
CID 20998308
(NZ)-N-(2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene)hydroxylamine
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2-(3-thiophen-2-ylphenyl)chromen-4-one
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[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
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CID 79831085

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine?
The IUPAC name of 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine (CID 41057689) is 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine is CSc1ccc(-c2cc(=Nc3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine?
The InChIKey is YWHMZAOAQBYLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS3/c1-15-23(22-8-5-13-29-22)26-24(30-15)25-19-14-21(16-9-11-17(28-2)12-10-16)27-20-7-4-3-6-18(19)20/h3-14H,1-2H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine?
2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine has a molecular weight of 446.62 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine is sourced from PubChem (CID 41057689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).