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

C21H22N2O2S — CID 46741195

IUPAC2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)c1
InChIInChI=1S/C21H22N2O2S/c1-13-6-5-7-17(10-13)23-21(24)20-16(4)22-19(26-20)12-25-18-11-14(2)8-9-15(18)3/h5-11H,12H2,1-4H3,(H,23,24)
InChIKeyQUCPDMMCIBLXLV-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.21
Rot. Bonds5

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

2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 46741195) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID46741195
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)c1
InChIInChI=1S/C21H22N2O2S/c1-13-6-5-7-17(10-13)23-21(24)20-16(4)22-19(26-20)12-25-18-11-14(2)8-9-15(18)3/h5-11H,12H2,1-4H3,(H,23,24)
InChIKeyQUCPDMMCIBLXLV-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46741197
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 20894858
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35270851
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
CID 55691433
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 46741195) is 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QUCPDMMCIBLXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-13-6-5-7-17(10-13)23-21(24)20-16(4)22-19(26-20)12-25-18-11-14(2)8-9-15(18)3/h5-11H,12H2,1-4H3,(H,23,24).
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 5.21, 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]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46741195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).