methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate

C20H17N3O4S — CID 84550709

IUPACmethyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C20H17N3O4S/c1-27-19(26)14-9-5-6-10-15(14)21-18(25)16-12-28-20(22-16)23-17(24)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRKFWPPUMMKLOAX-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.36
Rot. Bonds6

About methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate

methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate (PubChem CID 84550709) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
PubChem CID84550709
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Namemethyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C20H17N3O4S/c1-27-19(26)14-9-5-6-10-15(14)21-18(25)16-12-28-20(22-16)23-17(24)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRKFWPPUMMKLOAX-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550687
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550840
3-methyl-2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84555879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate (CID 84550709) is methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
The InChIKey is RKFWPPUMMKLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-27-19(26)14-9-5-6-10-15(14)21-18(25)16-12-28-20(22-16)23-17(24)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate?
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate has a molecular weight of 395.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 84550709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).