N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide

C18H17N3O2S — CID 91769969

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
SMILESNc1nc(CCNC(=O)c2ccccc2Oc2ccccc2)cs1
InChIInChI=1S/C18H17N3O2S/c19-18-21-13(12-24-18)10-11-20-17(22)15-8-4-5-9-16(15)23-14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H2,19,21)(H,20,22)
InChIKeyCABVJOOLSSDASN-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide (PubChem CID 91769969) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
PubChem CID91769969
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
SMILESNc1nc(CCNC(=O)c2ccccc2Oc2ccccc2)cs1
InChIInChI=1S/C18H17N3O2S/c19-18-21-13(12-24-18)10-11-20-17(22)15-8-4-5-9-16(15)23-14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H2,19,21)(H,20,22)
InChIKeyCABVJOOLSSDASN-UHFFFAOYSA-N
XLogP3.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide 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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
CID 35541456
2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35574090
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 50959187
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide (CID 91769969) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide is Nc1nc(CCNC(=O)c2ccccc2Oc2ccccc2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide?
The InChIKey is CABVJOOLSSDASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-18-21-13(12-24-18)10-11-20-17(22)15-8-4-5-9-16(15)23-14-6-2-1-3-7-14/h1-9,12H,10-11H2,(H2,19,21)(H,20,22).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide has a molecular weight of 339.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide is sourced from PubChem (CID 91769969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).