methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate

C12H10N2O3S — CID 11219204

IUPACmethyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H10N2O3S/c1-17-11(16)9-5-3-2-4-8(9)10(15)14-12-13-6-7-18-12/h2-7H,1H3,(H,13,14,15)
InChIKeyWZFLLCHBFRPANS-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate

methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate (PubChem CID 11219204) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate
PubChem CID11219204
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Namemethyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H10N2O3S/c1-17-11(16)9-5-3-2-4-8(9)10(15)14-12-13-6-7-18-12/h2-7H,1H3,(H,13,14,15)
InChIKeyWZFLLCHBFRPANS-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetic acid phenyl-(thiazol-2-ylcarbamoyl)-methyl ester
CID 2930812
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
N-(4-Methyl-thiazol-2-yl)-phthalamic acid
CID 653107
Ethyl 3-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate
CID 16068741
2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl 3-methylbenzoate
CID 888798
5-oxo-2-phenyl-N-(1,3-thiazol-2-yl)tetrahydrofuran-3-carboxamide
CID 2925864
3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isochromene-3-carboxamide
CID 2960225
1-oxo-N-(thiazol-2-yl)isochroman-3-carboxamide
CID 5210197
Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate
CID 307683
2-(1,3-Thiazol-2-ylcarbamoyl)benzoic acid
CID 315800
3-(2-thiazolylamino)-isobenzofuran-1(3H)-one
CID 659850
Methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 58033027

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate?
The IUPAC name of methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate (CID 11219204) is methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate is COC(=O)c1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate?
The InChIKey is WZFLLCHBFRPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-17-11(16)9-5-3-2-4-8(9)10(15)14-12-13-6-7-18-12/h2-7H,1H3,(H,13,14,15).
What are the key properties of methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate?
methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate has a molecular weight of 262.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-ylcarbamoyl)benzoate is sourced from PubChem (CID 11219204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).