N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide

C21H22N2O2S — CID 134007067

IUPACN-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)CCn2c(C)csc2=O)cc1
InChIInChI=1S/C21H22N2O2S/c1-16-8-10-19(11-9-16)23(14-18-6-4-3-5-7-18)20(24)12-13-22-17(2)15-26-21(22)25/h3-11,15H,12-14H2,1-2H3
InChIKeyPNRQDWMOSSTROR-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.15
Rot. Bonds6

About N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide

N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide (PubChem CID 134007067) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide
PubChem CID134007067
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)CCn2c(C)csc2=O)cc1
InChIInChI=1S/C21H22N2O2S/c1-16-8-10-19(11-9-16)23(14-18-6-4-3-5-7-18)20(24)12-13-22-17(2)15-26-21(22)25/h3-11,15H,12-14H2,1-2H3
InChIKeyPNRQDWMOSSTROR-UHFFFAOYSA-N
XLogP4.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35622101
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55386363
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-phenyl-N-propan-2-ylacetamide
CID 87037715
N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide
CID 55756566
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide (CID 134007067) is N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(N(Cc2ccccc2)C(=O)CCn2c(C)csc2=O)cc1.
What is the InChIKey of N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is PNRQDWMOSSTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-8-10-19(11-9-16)23(14-18-6-4-3-5-7-18)20(24)12-13-22-17(2)15-26-21(22)25/h3-11,15H,12-14H2,1-2H3.
What are the key properties of N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide?
N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 134007067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).