N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C13H14FN3O2S — CID 43287042

IUPACN-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H14FN3O2S/c1-8-7-20-13(19)17(8)5-4-12(18)16-11-6-9(15)2-3-10(11)14/h2-3,6-7H,4-5,15H2,1H3,(H,16,18)
InChIKeyOUIACOYEHGUNEV-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.97
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 43287042) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID43287042
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H14FN3O2S/c1-8-7-20-13(19)17(8)5-4-12(18)16-11-6-9(15)2-3-10(11)14/h2-3,6-7H,4-5,15H2,1H3,(H,16,18)
InChIKeyOUIACOYEHGUNEV-UHFFFAOYSA-N
XLogP1.97
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287035
N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43287032
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86920042
N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 63312901
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 30250132

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 43287042) is N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is OUIACOYEHGUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-7-20-13(19)17(8)5-4-12(18)16-11-6-9(15)2-3-10(11)14/h2-3,6-7H,4-5,15H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 43287042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).