2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C18H14Cl2N2OS — CID 2743908

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-5-7-12(8-6-11)21-18(23)16-10-24-17(22-16)9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyQAUWHEDMWRMKEN-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.60
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 2743908) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID2743908
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-5-7-12(8-6-11)21-18(23)16-10-24-17(22-16)9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyQAUWHEDMWRMKEN-UHFFFAOYSA-N
XLogP5.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 2743908) is 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(Cc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QAUWHEDMWRMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-11-5-7-12(8-6-11)21-18(23)16-10-24-17(22-16)9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2743908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).