N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide

C19H22N2O2S — CID 30709273

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
SMILESCc1cc(C)c2sc(N(Cc3ccco3)C(=O)C(C)(C)C)nc2c1
InChIInChI=1S/C19H22N2O2S/c1-12-9-13(2)16-15(10-12)20-18(24-16)21(17(22)19(3,4)5)11-14-7-6-8-23-14/h6-10H,11H2,1-5H3
InChIKeyGLBOXRIEJCGMDR-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.09
Rot. Bonds3

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 30709273) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
PubChem CID30709273
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
SMILESCc1cc(C)c2sc(N(Cc3ccco3)C(=O)C(C)(C)C)nc2c1
InChIInChI=1S/C19H22N2O2S/c1-12-9-13(2)16-15(10-12)20-18(24-16)21(17(22)19(3,4)5)11-14-7-6-8-23-14/h6-10H,11H2,1-5H3
InChIKeyGLBOXRIEJCGMDR-UHFFFAOYSA-N
XLogP5.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30709085
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30709052
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide
CID 30709345
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 30709092
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide
CID 30709560
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-7-ethoxy-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40946816
ethyl 4-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44949299
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30709572
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 30713044
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,5-dimethylbenzamide
CID 30713409
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 30713046
4-tert-butyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056227

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide (CID 30709273) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide is Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)C(C)(C)C)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is GLBOXRIEJCGMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-12-9-13(2)16-15(10-12)20-18(24-16)21(17(22)19(3,4)5)11-14-7-6-8-23-14/h6-10H,11H2,1-5H3.
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 342.46 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 30709273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).