[2-(benzylamino)-1,3-thiazol-4-yl] propanoate

C13H14N2O2S — CID 174422518

IUPAC[2-(benzylamino)-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1csc(NCc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-2-12(16)17-11-9-18-13(15-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeySZGSUDYHICZFLM-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.07
Rot. Bonds5

About [2-(benzylamino)-1,3-thiazol-4-yl] propanoate

[2-(benzylamino)-1,3-thiazol-4-yl] propanoate (PubChem CID 174422518) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [2-(benzylamino)-1,3-thiazol-4-yl] propanoate.

Molecular Properties

Compound Name[2-(benzylamino)-1,3-thiazol-4-yl] propanoate
PubChem CID174422518
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[2-(benzylamino)-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1csc(NCc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-2-12(16)17-11-9-18-13(15-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKeySZGSUDYHICZFLM-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(benzylamino)-1,3-thiazol-4-yl] propanoate 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

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 46697258
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
CID 87957803
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone
CID 82290120

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-1,3-thiazol-4-yl] propanoate?
The IUPAC name of [2-(benzylamino)-1,3-thiazol-4-yl] propanoate (CID 174422518) is [2-(benzylamino)-1,3-thiazol-4-yl] propanoate.
What is the SMILES notation for [2-(benzylamino)-1,3-thiazol-4-yl] propanoate?
The canonical SMILES for [2-(benzylamino)-1,3-thiazol-4-yl] propanoate is CCC(=O)Oc1csc(NCc2ccccc2)n1.
What is the InChIKey of [2-(benzylamino)-1,3-thiazol-4-yl] propanoate?
The InChIKey is SZGSUDYHICZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-12(16)17-11-9-18-13(15-11)14-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15).
What are the key properties of [2-(benzylamino)-1,3-thiazol-4-yl] propanoate?
[2-(benzylamino)-1,3-thiazol-4-yl] propanoate has a molecular weight of 262.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-1,3-thiazol-4-yl] propanoate is sourced from PubChem (CID 174422518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).