methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate

C13H14N2O2S — CID 64993607

IUPACmethyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1cccc(NC(C)c2nccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-9(12-14-6-7-18-12)15-11-5-3-4-10(8-11)13(16)17-2/h3-9,15H,1-2H3
InChIKeyOHVDXWRVNQSQJR-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.10
Rot. Bonds4

About methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate

methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate (PubChem CID 64993607) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
PubChem CID64993607
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1cccc(NC(C)c2nccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-9(12-14-6-7-18-12)15-11-5-3-4-10(8-11)13(16)17-2/h3-9,15H,1-2H3
InChIKeyOHVDXWRVNQSQJR-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
CID 75498371
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
methyl 4-fluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993515
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
3-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993160
methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
CID 43670294
3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990616
methyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoate
CID 43774406
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
CID 103936431
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate (CID 64993607) is methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate is COC(=O)c1cccc(NC(C)c2nccs2)c1.
What is the InChIKey of methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate?
The InChIKey is OHVDXWRVNQSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(12-14-6-7-18-12)15-11-5-3-4-10(8-11)13(16)17-2/h3-9,15H,1-2H3.
What are the key properties of methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate?
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate has a molecular weight of 262.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate is sourced from PubChem (CID 64993607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).