[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate

C20H17N3O4S — CID 3558595

IUPAC[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
SMILESCc1cnc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)s1
InChIInChI=1S/C20H17N3O4S/c1-13-11-21-20(28-13)23-17(24)12-27-19(26)15-9-5-6-10-16(15)22-18(25)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOVYYJFWXYCCUKE-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.50
Rot. Bonds6

About [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate

[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 3558595) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
PubChem CID3558595
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
SMILESCc1cnc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)s1
InChIInChI=1S/C20H17N3O4S/c1-13-11-21-20(28-13)23-17(24)12-27-19(26)15-9-5-6-10-16(15)22-18(25)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOVYYJFWXYCCUKE-UHFFFAOYSA-N
XLogP3.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
CID 4530205
[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 4991492
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-benzamidobenzoate
CID 2525027
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-benzamidobenzoate
CID 7835723
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate (CID 3558595) is [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate is Cc1cnc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)s1.
What is the InChIKey of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is OVYYJFWXYCCUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13-11-21-20(28-13)23-17(24)12-27-19(26)15-9-5-6-10-16(15)22-18(25)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate?
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 395.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 3558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).