2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C13H14FN3OS — CID 62661911

IUPAC2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C13H14FN3OS/c1-7(2)10-6-19-13(16-10)17-12(18)8-4-3-5-9(14)11(8)15/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeySWVAIOJAIIBEMF-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 62661911) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID62661911
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C13H14FN3OS/c1-7(2)10-6-19-13(16-10)17-12(18)8-4-3-5-9(14)11(8)15/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeySWVAIOJAIIBEMF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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

2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
CID 62174910

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 62661911) is 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1csc(NC(=O)c2cccc(F)c2N)n1.
What is the InChIKey of 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SWVAIOJAIIBEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-7(2)10-6-19-13(16-10)17-12(18)8-4-3-5-9(14)11(8)15/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 62661911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).