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

C11H10FN3OS — CID 87426916

IUPACN-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1cc(Nc2ccccc2C(=O)NF)sn1
InChIInChI=1S/C11H10FN3OS/c1-7-6-10(17-15-7)13-9-5-3-2-4-8(9)11(16)14-12/h2-6,13H,1H3,(H,14,16)
InChIKeyGKAFMFLHLAILPE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.81
Rot. Bonds3

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

N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (PubChem CID 87426916) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.

Molecular Properties

Compound NameN-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
PubChem CID87426916
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC NameN-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
SMILESCc1cc(Nc2ccccc2C(=O)NF)sn1
InChIInChI=1S/C11H10FN3OS/c1-7-6-10(17-15-7)13-9-5-3-2-4-8(9)11(16)14-12/h2-6,13H,1H3,(H,14,16)
InChIKeyGKAFMFLHLAILPE-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
CID 166187686
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878
N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
CID 71900557
4-[[1-amino-3-(3-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67509547
1-(1-methylindol-3-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 91286178
N-(4-acetamidophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779489
N-methyl-2-(2,4,6-trimethylanilino)benzamide
CID 67997088
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779345
4-[(2-amino-3-methoxypropyl)amino]-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67509103
(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-pyridin-2-ylpropanamide
CID 67508724
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]benzoic acid
CID 12509218
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The IUPAC name of N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide (CID 87426916) is N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide.
What is the SMILES notation for N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The canonical SMILES for N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is Cc1cc(Nc2ccccc2C(=O)NF)sn1.
What is the InChIKey of N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
The InChIKey is GKAFMFLHLAILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-7-6-10(17-15-7)13-9-5-3-2-4-8(9)11(16)14-12/h2-6,13H,1H3,(H,14,16).
What are the key properties of N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide?
N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide is sourced from PubChem (CID 87426916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).