4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C16H13FN2O3S — CID 87059661

IUPAC4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(F)c(OC)c3)sc2c1
InChIInChI=1S/C16H13FN2O3S/c1-21-10-4-6-12-14(8-10)23-16(18-12)19-15(20)9-3-5-11(17)13(7-9)22-2/h3-8H,1-2H3,(H,18,19,20)
InChIKeyWRRHKPOTKXYYRD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.70
Rot. Bonds4

About 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 87059661) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID87059661
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(F)c(OC)c3)sc2c1
InChIInChI=1S/C16H13FN2O3S/c1-21-10-4-6-12-14(8-10)23-16(18-12)19-15(20)9-3-5-11(17)13(7-9)22-2/h3-8H,1-2H3,(H,18,19,20)
InChIKeyWRRHKPOTKXYYRD-UHFFFAOYSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 87059661) is 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccc(F)c(OC)c3)sc2c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WRRHKPOTKXYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-21-10-4-6-12-14(8-10)23-16(18-12)19-15(20)9-3-5-11(17)13(7-9)22-2/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 87059661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).