3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C12H11F2N3OS — CID 79773105

IUPAC3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2cscn2)c1F
InChIInChI=1S/C12H11F2N3OS/c13-8-1-2-9(15)11(14)10(8)12(18)16-4-3-7-5-19-6-17-7/h1-2,5-6H,3-4,15H2,(H,16,18)
InChIKeyGVEFCPBRZKEXLD-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 79773105) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID79773105
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC Name3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2cscn2)c1F
InChIInChI=1S/C12H11F2N3OS/c13-8-1-2-9(15)11(14)10(8)12(18)16-4-3-7-5-19-6-17-7/h1-2,5-6H,3-4,15H2,(H,16,18)
InChIKeyGVEFCPBRZKEXLD-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-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

4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
3-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170611

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 79773105) is 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is Nc1ccc(F)c(C(=O)NCCc2cscn2)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is GVEFCPBRZKEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c13-8-1-2-9(15)11(14)10(8)12(18)16-4-3-7-5-19-6-17-7/h1-2,5-6H,3-4,15H2,(H,16,18).
What are the key properties of 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 283.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 79773105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).