3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide

C13H14FN3OS — CID 61471873

IUPAC3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
SMILESCCc1nc(NC(=O)c2ccc(F)c(N)c2)sc1C
InChIInChI=1S/C13H14FN3OS/c1-3-11-7(2)19-13(16-11)17-12(18)8-4-5-9(14)10(15)6-8/h4-6H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyZLROEAJSWAFJEX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide (PubChem CID 61471873) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
PubChem CID61471873
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
SMILESCCc1nc(NC(=O)c2ccc(F)c(N)c2)sc1C
InChIInChI=1S/C13H14FN3OS/c1-3-11-7(2)19-13(16-11)17-12(18)8-4-5-9(14)10(15)6-8/h4-6H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyZLROEAJSWAFJEX-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.99
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

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61474388
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide (CID 61471873) is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide is CCc1nc(NC(=O)c2ccc(F)c(N)c2)sc1C.
What is the InChIKey of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
The InChIKey is ZLROEAJSWAFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-3-11-7(2)19-13(16-11)17-12(18)8-4-5-9(14)10(15)6-8/h4-6H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide?
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 61471873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).