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

C12H11FN2O2S — CID 86980050

IUPAC3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)c2nccs2)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-15(12-14-5-6-18-12)11(16)8-3-4-10(17-2)9(13)7-8/h3-7H,1-2H3
InChIKeyDFCCRNOVGROHGJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.57
Rot. Bonds3

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

3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 86980050) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID86980050
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)c2nccs2)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-15(12-14-5-6-18-12)11(16)8-3-4-10(17-2)9(13)7-8/h3-7H,1-2H3
InChIKeyDFCCRNOVGROHGJ-UHFFFAOYSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723339
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
2-(2,5-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 78865572
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-fluoro-4-methoxybenzoate
CID 4251674
1-[3-fluoro-4-(1,3-thiazol-2-ylmethoxy)phenyl]ethanone
CID 112703041
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
1-(3-fluoro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43220185

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 86980050) is 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)N(C)c2nccs2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is DFCCRNOVGROHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(12-14-5-6-18-12)11(16)8-3-4-10(17-2)9(13)7-8/h3-7H,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide?
3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86980050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).