N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide

C18H16N2O2S — CID 110650217

IUPACN-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(-c2ccccc2)sc1C
InChIInChI=1S/C18H16N2O2S/c1-12-16(20-18(23-12)13-8-4-3-5-9-13)17(21)19-14-10-6-7-11-15(14)22-2/h3-11H,1-2H3,(H,19,21)
InChIKeyLAMQBZHGPJCZST-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.38
Rot. Bonds4

About N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide

N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110650217) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110650217
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(-c2ccccc2)sc1C
InChIInChI=1S/C18H16N2O2S/c1-12-16(20-18(23-12)13-8-4-3-5-9-13)17(21)19-14-10-6-7-11-15(14)22-2/h3-11H,1-2H3,(H,19,21)
InChIKeyLAMQBZHGPJCZST-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 110650217) is N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide is COc1ccccc1NC(=O)c1nc(-c2ccccc2)sc1C.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is LAMQBZHGPJCZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-16(20-18(23-12)13-8-4-3-5-9-13)17(21)19-14-10-6-7-11-15(14)22-2/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110650217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).