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

C13H13F2N3OS — CID 107121045

IUPAC3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(F)cc(N)c2F)n1
InChIInChI=1S/C13H13F2N3OS/c1-7-6-20-11(18-7)2-3-17-13(19)9-4-8(14)5-10(16)12(9)15/h4-6H,2-3,16H2,1H3,(H,17,19)
InChIKeyINXSZSZBAOAGTB-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.28
Rot. Bonds4

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

3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 107121045) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID107121045
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(F)cc(N)c2F)n1
InChIInChI=1S/C13H13F2N3OS/c1-7-6-20-11(18-7)2-3-17-13(19)9-4-8(14)5-10(16)12(9)15/h4-6H,2-3,16H2,1H3,(H,17,19)
InChIKeyINXSZSZBAOAGTB-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'}

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Related Compounds

2-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
2-fluoro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 62948940
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777
2-[2-[(2-amino-5-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374408
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 107121045) is 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2cc(F)cc(N)c2F)n1.
What is the InChIKey of 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is INXSZSZBAOAGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-7-6-20-11(18-7)2-3-17-13(19)9-4-8(14)5-10(16)12(9)15/h4-6H,2-3,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-amino-2,5-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 3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 107121045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).