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

C19H18N2O2S — CID 9456324

IUPACN-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C19H18N2O2S/c1-13-6-8-15(9-7-13)19-21-17(12-24-19)18(22)20-11-14-4-3-5-16(10-14)23-2/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyYJCNUFHJOPYUKH-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.06
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 9456324) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID9456324
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C19H18N2O2S/c1-13-6-8-15(9-7-13)19-21-17(12-24-19)18(22)20-11-14-4-3-5-16(10-14)23-2/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyYJCNUFHJOPYUKH-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 9456324) is N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YJCNUFHJOPYUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-6-8-15(9-7-13)19-21-17(12-24-19)18(22)20-11-14-4-3-5-16(10-14)23-2/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9456324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).