methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate

C19H16N2O3S — CID 110650599

IUPACmethyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)sc1C
InChIInChI=1S/C19H16N2O3S/c1-12-16(21-18(25-12)13-8-4-3-5-9-13)17(22)20-15-11-7-6-10-14(15)19(23)24-2/h3-11H,1-2H3,(H,20,22)
InChIKeyVLHCOXVFYWKTFC-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.16
Rot. Bonds4

About methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate

methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate (PubChem CID 110650599) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
PubChem CID110650599
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Namemethyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)sc1C
InChIInChI=1S/C19H16N2O3S/c1-12-16(21-18(25-12)13-8-4-3-5-9-13)17(22)20-15-11-7-6-10-14(15)19(23)24-2/h3-11H,1-2H3,(H,20,22)
InChIKeyVLHCOXVFYWKTFC-UHFFFAOYSA-N
XLogP4.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
methyl 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 110861575
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
CID 110356107
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 110649271
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate (CID 110650599) is methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)sc1C.
What is the InChIKey of methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The InChIKey is VLHCOXVFYWKTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-16(21-18(25-12)13-8-4-3-5-9-13)17(22)20-15-11-7-6-10-14(15)19(23)24-2/h3-11H,1-2H3,(H,20,22).
What are the key properties of methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate has a molecular weight of 352.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 110650599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).