methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate

C19H16N2O3S — CID 110356107

IUPACmethyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(-c2nc(C)cs2)c1
InChIInChI=1S/C19H16N2O3S/c1-12-11-25-18(20-12)14-7-5-6-13(10-14)17(22)21-16-9-4-3-8-15(16)19(23)24-2/h3-11H,1-2H3,(H,21,22)
InChIKeyYWUCIIMFUKJCSC-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.16
Rot. Bonds4

About methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate

methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate (PubChem CID 110356107) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
PubChem CID110356107
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Namemethyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(-c2nc(C)cs2)c1
InChIInChI=1S/C19H16N2O3S/c1-12-11-25-18(20-12)14-7-5-6-13(10-14)17(22)21-16-9-4-3-8-15(16)19(23)24-2/h3-11H,1-2H3,(H,21,22)
InChIKeyYWUCIIMFUKJCSC-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

N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110406254
4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 120702327
methyl 2-fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoate
CID 172532469
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
CID 110354990
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate (CID 110356107) is methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(-c2nc(C)cs2)c1.
What is the InChIKey of methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate?
The InChIKey is YWUCIIMFUKJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-11-25-18(20-12)14-7-5-6-13(10-14)17(22)21-16-9-4-3-8-15(16)19(23)24-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate?
methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]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-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 110356107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).