2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C13H14FN3OS — CID 61479537

IUPAC2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C13H14FN3OS/c1-7(2)11-6-19-13(16-11)17-12(18)9-5-8(14)3-4-10(9)15/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyCPJKRKDQZFORHX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 61479537) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID61479537
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C13H14FN3OS/c1-7(2)11-6-19-13(16-11)17-12(18)9-5-8(14)3-4-10(9)15/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeyCPJKRKDQZFORHX-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'}

Analyze 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)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

5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014642
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
CID 64558466
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
4-amino-1-propan-2-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479491
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014646

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 61479537) is 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1csc(NC(=O)c2cc(F)ccc2N)n1.
What is the InChIKey of 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CPJKRKDQZFORHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-7(2)11-6-19-13(16-11)17-12(18)9-5-8(14)3-4-10(9)15/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
2-amino-5-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-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61479537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).