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

C14H16N2O2S — CID 43670294

IUPACmethyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
SMILESCOC(=O)c1cccc(NC(C)c2csc(C)n2)c1
InChIInChI=1S/C14H16N2O2S/c1-9(13-8-19-10(2)16-13)15-12-6-4-5-11(7-12)14(17)18-3/h4-9,15H,1-3H3
InChIKeyBQCXWTXEFGGNDW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.41
Rot. Bonds4

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

methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate (PubChem CID 43670294) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
PubChem CID43670294
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
SMILESCOC(=O)c1cccc(NC(C)c2csc(C)n2)c1
InChIInChI=1S/C14H16N2O2S/c1-9(13-8-19-10(2)16-13)15-12-6-4-5-11(7-12)14(17)18-3/h4-9,15H,1-3H3
InChIKeyBQCXWTXEFGGNDW-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
methyl 3-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110694272
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65191652
methyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoate
CID 43774406
methyl 3-(2,6-dimethylheptan-4-ylamino)benzoate
CID 43321744
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745436

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate?
The IUPAC name of methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate (CID 43670294) is methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate?
The canonical SMILES for methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate is COC(=O)c1cccc(NC(C)c2csc(C)n2)c1.
What is the InChIKey of methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate?
The InChIKey is BQCXWTXEFGGNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(13-8-19-10(2)16-13)15-12-6-4-5-11(7-12)14(17)18-3/h4-9,15H,1-3H3.
What are the key properties of methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate?
methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate has a molecular weight of 276.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate is sourced from PubChem (CID 43670294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).