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

C11H10N2O2S — CID 2060012

IUPACmethyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKeyFKEIGGWJRUYGHR-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds2

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

methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate (PubChem CID 2060012) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
PubChem CID2060012
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13)
InChIKeyFKEIGGWJRUYGHR-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)-N-tert-butylbenzamide
CID 87581411
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856582
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
methyl 4-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 146190126
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
methyl 4-[2-(1-acetylpyrrolidin-3-yl)-1,3-thiazol-4-yl]benzoate
CID 167917290
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate?
The IUPAC name of methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate (CID 2060012) is methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate.
What is the SMILES notation for methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate?
The canonical SMILES for methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate is COC(=O)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate?
The InChIKey is FKEIGGWJRUYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-10(14)8-4-2-7(3-5-8)9-6-16-11(12)13-9/h2-6H,1H3,(H2,12,13).
What are the key properties of methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate?
methyl 4-(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 4-(2-amino-1,3-thiazol-4-yl)benzoate is sourced from PubChem (CID 2060012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).