2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C21H22N2O3S — CID 60603319

IUPAC2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1OC
InChIInChI=1S/C21H22N2O3S/c1-13-6-5-7-16(10-13)22-19(24)12-20-23-21(14(2)27-20)15-8-9-17(25-3)18(11-15)26-4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyBPPOKILOVSBYED-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.63
Rot. Bonds6

About 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 60603319) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID60603319
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1OC
InChIInChI=1S/C21H22N2O3S/c1-13-6-5-7-16(10-13)22-19(24)12-20-23-21(14(2)27-20)15-8-9-17(25-3)18(11-15)26-4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyBPPOKILOVSBYED-UHFFFAOYSA-N
XLogP4.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
CID 52794423
N-(3,4-dimethoxyphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9118590
O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
2-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964637
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 60603319) is 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is COc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is BPPOKILOVSBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-13-6-5-7-16(10-13)22-19(24)12-20-23-21(14(2)27-20)15-8-9-17(25-3)18(11-15)26-4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 60603319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).