N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide

C24H22N2O4S — CID 46947974

IUPACN-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(=O)n(Cc3ccc4ccccc4c3)c2C)cc1OC
InChIInChI=1S/C24H22N2O4S/c1-15-22(23(27)25-19-10-11-20(29-2)21(13-19)30-3)31-24(28)26(15)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyPKYVWRJKVMPBTM-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.69
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide

N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46947974) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46947974
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(=O)n(Cc3ccc4ccccc4c3)c2C)cc1OC
InChIInChI=1S/C24H22N2O4S/c1-15-22(23(27)25-19-10-11-20(29-2)21(13-19)30-3)31-24(28)26(15)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyPKYVWRJKVMPBTM-UHFFFAOYSA-N
XLogP4.69
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 129316336
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 46942823
N-(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
CID 42810317
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
N-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4215319
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55855136
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 17446637
5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820769

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide (CID 46947974) is N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(=O)n(Cc3ccc4ccccc4c3)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is PKYVWRJKVMPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-15-22(23(27)25-19-10-11-20(29-2)21(13-19)30-3)31-24(28)26(15)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-methyl-3-(naphthalen-2-ylmethyl)-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46947974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).