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

C11H9F2N3OS — CID 61090250

IUPAC5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(N)c(F)cc2F)n1
InChIInChI=1S/C11H9F2N3OS/c1-5-4-18-11(15-5)16-10(17)6-2-9(14)8(13)3-7(6)12/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyIKUQTWIXLBDTDQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.56
Rot. Bonds2

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

5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 61090250) has the molecular formula C11H9F2N3OS and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID61090250
Molecular FormulaC11H9F2N3OS
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(N)c(F)cc2F)n1
InChIInChI=1S/C11H9F2N3OS/c1-5-4-18-11(15-5)16-10(17)6-2-9(14)8(13)3-7(6)12/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyIKUQTWIXLBDTDQ-UHFFFAOYSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.56
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

2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 107641297
3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 121006074
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 61090250) is 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(N)c(F)cc2F)n1.
What is the InChIKey of 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IKUQTWIXLBDTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS/c1-5-4-18-11(15-5)16-10(17)6-2-9(14)8(13)3-7(6)12/h2-4H,14H2,1H3,(H,15,16,17).
What are the key properties of 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61090250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).