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

C13H15N3O2S — CID 82546791

IUPAC2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nccs2)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-18-9-2-3-10(11(14)8-9)13(17)16-5-4-12-15-6-7-19-12/h2-3,6-8H,4-5,14H2,1H3,(H,16,17)
InChIKeyZDCKKVYCQBEDGU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.71
Rot. Bonds5

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

2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 82546791) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID82546791
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nccs2)c(N)c1
InChIInChI=1S/C13H15N3O2S/c1-18-9-2-3-10(11(14)8-9)13(17)16-5-4-12-15-6-7-19-12/h2-3,6-8H,4-5,14H2,1H3,(H,16,17)
InChIKeyZDCKKVYCQBEDGU-UHFFFAOYSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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

2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 82546791) is 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2nccs2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ZDCKKVYCQBEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-9-2-3-10(11(14)8-9)13(17)16-5-4-12-15-6-7-19-12/h2-3,6-8H,4-5,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 82546791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).