2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C22H24N2O2S — CID 46741197

IUPAC2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C)c(OCc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)c1
InChIInChI=1S/C22H24N2O2S/c1-13-6-7-15(3)19(10-13)26-12-20-23-17(5)21(27-20)22(25)24-18-9-8-14(2)16(4)11-18/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyOOEHTXWJTUMLHM-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.52
Rot. Bonds5

About 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46741197) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46741197
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C)c(OCc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)c1
InChIInChI=1S/C22H24N2O2S/c1-13-6-7-15(3)19(10-13)26-12-20-23-17(5)21(27-20)22(25)24-18-9-8-14(2)16(4)11-18/h6-11H,12H2,1-5H3,(H,24,25)
InChIKeyOOEHTXWJTUMLHM-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 46741195
2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 20894858
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
CID 55691433
N-(2,5-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616326
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897357
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 46741197) is 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(C)c(OCc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OOEHTXWJTUMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-13-6-7-15(3)19(10-13)26-12-20-23-17(5)21(27-20)22(25)24-18-9-8-14(2)16(4)11-18/h6-11H,12H2,1-5H3,(H,24,25).
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46741197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).