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

C24H28N2O4S — CID 55896712

IUPACN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c(OC)c1OC
InChIInChI=1S/C24H28N2O4S/c1-15-6-8-17(9-7-15)14-20-16(2)25-24(31-20)26-21(27)13-11-18-10-12-19(28-3)23(30-5)22(18)29-4/h6-10,12H,11,13-14H2,1-5H3,(H,25,26,27)
InChIKeyIYEMZISURLKKGO-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.95
Rot. Bonds9

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

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55896712) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55896712
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c(OC)c1OC
InChIInChI=1S/C24H28N2O4S/c1-15-6-8-17(9-7-15)14-20-16(2)25-24(31-20)26-21(27)13-11-18-10-12-19(28-3)23(30-5)22(18)29-4/h6-10,12H,11,13-14H2,1-5H3,(H,25,26,27)
InChIKeyIYEMZISURLKKGO-UHFFFAOYSA-N
XLogP4.95
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 22634262
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylacetamide
CID 87026704
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55895813
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 82342481
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 43836662
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 43837040
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110421321
N-[6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289506

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55896712) is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c(OC)c1OC.
What is the InChIKey of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is IYEMZISURLKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-15-6-8-17(9-7-15)14-20-16(2)25-24(31-20)26-21(27)13-11-18-10-12-19(28-3)23(30-5)22(18)29-4/h6-10,12H,11,13-14H2,1-5H3,(H,25,26,27).
What are the key properties of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 440.57 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55896712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).