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

C17H22N2O2S — CID 46943550

IUPAC4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2c(C)c(C(=O)NCC(C)C)sc2=O)cc1
InChIInChI=1S/C17H22N2O2S/c1-11(2)9-18-16(20)15-13(4)19(17(21)22-15)10-14-7-5-12(3)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyFYXIJEJCPVFBNR-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.96
Rot. Bonds5

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

4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46943550) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46943550
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2c(C)c(C(=O)NCC(C)C)sc2=O)cc1
InChIInChI=1S/C17H22N2O2S/c1-11(2)9-18-16(20)15-13(4)19(17(21)22-15)10-14-7-5-12(3)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyFYXIJEJCPVFBNR-UHFFFAOYSA-N
XLogP2.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82028792
3-[(5-acetyl-2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide
CID 46942897
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 46942823
2-(4-chlorophenyl)-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835780
3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46948557
3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 129316336
2-(3-chlorophenyl)-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005276
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 2609124

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide (CID 46943550) is 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide is Cc1ccc(Cn2c(C)c(C(=O)NCC(C)C)sc2=O)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is FYXIJEJCPVFBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)9-18-16(20)15-13(4)19(17(21)22-15)10-14-7-5-12(3)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide?
4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).