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

C11H10N2O2S — CID 58930791

IUPACmethyl 3-(2-amino-1,3-thiazol-4-yl)benzoate
SMILESCOC(=O)c1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-3-7(5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKeyDKNFFLRDWGIADF-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds2

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

methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate (PubChem CID 58930791) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-1,3-thiazol-4-yl)benzoate
PubChem CID58930791
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 3-(2-amino-1,3-thiazol-4-yl)benzoate
SMILESCOC(=O)c1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-3-7(5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKeyDKNFFLRDWGIADF-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)benzoic acid
CID 613179
2-Aminobenzothiazole deriv., 2
CID 829035
3-[2-(2-Methylanilino)-1,3-thiazol-4-yl]benzoic acid
CID 147535030
NF-|E| cent activator 1
CID 151901137
Benzoic acid, 3-(4-methyl-2-thiazolyl)-
CID 215202
Methyl 4-(2-aminothiazol-4-yl)benzoate
CID 2060012
methyl 4-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzoate
CID 5331231
(E)-methyl 4-((2-(4-(p-tolyl)thiazol-2-yl)hydrazono)methyl)benzoate
CID 5339403
Ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2764233
Methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 58033027
3-[2-(3-Fluoroanilino)-1,3-thiazol-4-yl]benzoic acid
CID 146749674
3-(2-Anilino-1,3-thiazol-4-yl)benzoic acid
CID 147405492

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate?
The IUPAC name of methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate (CID 58930791) is methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate.
What is the SMILES notation for methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate?
The canonical SMILES for methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate is COC(=O)c1cccc(-c2csc(N)n2)c1.
What is the InChIKey of methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate?
The InChIKey is DKNFFLRDWGIADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-3-7(5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13).
What are the key properties of methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate?
methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate has a molecular weight of 234.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-1,3-thiazol-4-yl)benzoate is sourced from PubChem (CID 58930791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).