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

C16H12F2N2O2S — CID 17470701

IUPACN-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C16H12F2N2O2S/c1-20(16-19-12-4-2-3-5-13(12)23-16)14(21)10-6-8-11(9-7-10)22-15(17)18/h2-9,15H,1H3
InChIKeyLTZLWFDMBRPTPE-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.17
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide (PubChem CID 17470701) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide
PubChem CID17470701
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C16H12F2N2O2S/c1-20(16-19-12-4-2-3-5-13(12)23-16)14(21)10-6-8-11(9-7-10)22-15(17)18/h2-9,15H,1H3
InChIKeyLTZLWFDMBRPTPE-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7830890
N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34261151
N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 34250429
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 35881093
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 18088007
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
CID 18193276
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide (CID 17470701) is N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide is CN(C(=O)c1ccc(OC(F)F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is LTZLWFDMBRPTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-20(16-19-12-4-2-3-5-13(12)23-16)14(21)10-6-8-11(9-7-10)22-15(17)18/h2-9,15H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 334.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 17470701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).