2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H13F2N3OS — CID 63238520

IUPAC2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(F)c(F)cc2N)n1
InChIInChI=1S/C13H13F2N3OS/c1-7-6-20-12(18-7)2-3-17-13(19)8-4-9(14)10(15)5-11(8)16/h4-6H,2-3,16H2,1H3,(H,17,19)
InChIKeyQVDAFFXZUGRJRM-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.28
Rot. Bonds4

About 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 63238520) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID63238520
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(F)c(F)cc2N)n1
InChIInChI=1S/C13H13F2N3OS/c1-7-6-20-12(18-7)2-3-17-13(19)8-4-9(14)10(15)5-11(8)16/h4-6H,2-3,16H2,1H3,(H,17,19)
InChIKeyQVDAFFXZUGRJRM-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-difluoro-N-[2-(4-methyl-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-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107121045
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
3-bromo-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103706683
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 63238520) is 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2cc(F)c(F)cc2N)n1.
What is the InChIKey of 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is QVDAFFXZUGRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-7-6-20-12(18-7)2-3-17-13(19)8-4-9(14)10(15)5-11(8)16/h4-6H,2-3,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 63238520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).