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

C22H24N2O2S — CID 1303421

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
SMILESCCOc1ccc(-c2nc(N(C(=O)CC)c3cccc(C)c3)sc2C)cc1
InChIInChI=1S/C22H24N2O2S/c1-5-20(25)24(18-9-7-8-15(3)14-18)22-23-21(16(4)27-22)17-10-12-19(13-11-17)26-6-2/h7-14H,5-6H2,1-4H3
InChIKeyGPELBTDHGQBNFR-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.90
Rot. Bonds6

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

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide (PubChem CID 1303421) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
PubChem CID1303421
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
SMILESCCOc1ccc(-c2nc(N(C(=O)CC)c3cccc(C)c3)sc2C)cc1
InChIInChI=1S/C22H24N2O2S/c1-5-20(25)24(18-9-7-8-15(3)14-18)22-23-21(16(4)27-22)17-10-12-19(13-11-17)26-6-2/h7-14H,5-6H2,1-4H3
InChIKeyGPELBTDHGQBNFR-UHFFFAOYSA-N
XLogP5.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 2194632
N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 2194677
N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2194695
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1313348
4-ethoxy-N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2554505
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 8610429

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide (CID 1303421) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide is CCOc1ccc(-c2nc(N(C(=O)CC)c3cccc(C)c3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is GPELBTDHGQBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-20(25)24(18-9-7-8-15(3)14-18)22-23-21(16(4)27-22)17-10-12-19(13-11-17)26-6-2/h7-14H,5-6H2,1-4H3.
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 380.51 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 1303421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).