N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide

C16H12F2N2O3S — CID 16848813

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C16H12F2N2O3S/c1-22-9-3-4-12(23-2)10(7-9)15(21)20-16-19-14-11(18)5-8(17)6-13(14)24-16/h3-7H,1-2H3,(H,19,20,21)
InChIKeyXWSIDMPADPIGQF-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.84
Rot. Bonds4

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide (PubChem CID 16848813) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
PubChem CID16848813
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1
InChIInChI=1S/C16H12F2N2O3S/c1-22-9-3-4-12(23-2)10(7-9)15(21)20-16-19-14-11(18)5-8(17)6-13(14)24-16/h3-7H,1-2H3,(H,19,20,21)
InChIKeyXWSIDMPADPIGQF-UHFFFAOYSA-N
XLogP3.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749816
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 43989050
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 9119417
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
6-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2541502
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3560638
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989031
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 16848847

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide (CID 16848813) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
The InChIKey is XWSIDMPADPIGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-22-9-3-4-12(23-2)10(7-9)15(21)20-16-19-14-11(18)5-8(17)6-13(14)24-16/h3-7H,1-2H3,(H,19,20,21).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide has a molecular weight of 350.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 16848813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).