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

C16H13FN2O3S — CID 2996365

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1OC
InChIInChI=1S/C16H13FN2O3S/c1-21-12-6-3-9(7-13(12)22-2)15(20)19-16-18-11-5-4-10(17)8-14(11)23-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeySFIHSCMLLCJRQW-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.70
Rot. Bonds4

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide (PubChem CID 2996365) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
PubChem CID2996365
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1OC
InChIInChI=1S/C16H13FN2O3S/c1-21-12-6-3-9(7-13(12)22-2)15(20)19-16-18-11-5-4-10(17)8-14(11)23-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeySFIHSCMLLCJRQW-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

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
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
CID 2308587
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
(E)-3-(3,4-dimethoxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7733354
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide (CID 2996365) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1OC.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is SFIHSCMLLCJRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-21-12-6-3-9(7-13(12)22-2)15(20)19-16-18-11-5-4-10(17)8-14(11)23-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide 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 N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 2996365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).