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

C11H10FN3OS — CID 60861340

IUPAC3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1c(N)cc(C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C11H10FN3OS/c1-6-8(12)4-7(5-9(6)13)10(16)15-11-14-2-3-17-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyNYFJQCIRZPSOPK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.43
Rot. Bonds2

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

3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 60861340) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID60861340
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1c(N)cc(C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C11H10FN3OS/c1-6-8(12)4-7(5-9(6)13)10(16)15-11-14-2-3-17-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyNYFJQCIRZPSOPK-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.43
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

3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
3,5-difluoro-4-hydrazinyl-N-(1,3-thiazol-2-yl)benzamide
CID 63186769
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-5-fluoro-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113433366
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 143308745
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 60861340) is 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1c(N)cc(C(=O)Nc2nccs2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NYFJQCIRZPSOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-6-8(12)4-7(5-9(6)13)10(16)15-11-14-2-3-17-11/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide?
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 60861340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).