N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

C16H12F2N2O3S — CID 2676970

IUPACN-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OC(F)F
InChIInChI=1S/C16H12F2N2O3S/c1-22-12-8-9(6-7-11(12)23-15(17)18)14(21)20-16-19-10-4-2-3-5-13(10)24-16/h2-8,15H,1H3,(H,19,20,21)
InChIKeyJXFJNNNSXBSZCW-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.16
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 2676970) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID2676970
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OC(F)F
InChIInChI=1S/C16H12F2N2O3S/c1-22-12-8-9(6-7-11(12)23-15(17)18)14(21)20-16-19-10-4-2-3-5-13(10)24-16/h2-8,15H,1H3,(H,19,20,21)
InChIKeyJXFJNNNSXBSZCW-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
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
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
N-(1,3-benzothiazol-2-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 4598835
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
CID 2308587
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
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-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 42993173
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46493268

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (CID 2676970) is N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OC(F)F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is JXFJNNNSXBSZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-22-12-8-9(6-7-11(12)23-15(17)18)14(21)20-16-19-10-4-2-3-5-13(10)24-16/h2-8,15H,1H3,(H,19,20,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 350.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 2676970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).