N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide

C19H20N2O2S — CID 17100977

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
SMILESCc1ccc(C)c2sc(NC(=O)c3cccc(OC(C)C)c3)nc12
InChIInChI=1S/C19H20N2O2S/c1-11(2)23-15-7-5-6-14(10-15)18(22)21-19-20-16-12(3)8-9-13(4)17(16)24-19/h5-11H,1-4H3,(H,20,21,22)
InChIKeyVONUXYJVJHLQAK-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.95
Rot. Bonds4

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide (PubChem CID 17100977) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
PubChem CID17100977
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
SMILESCc1ccc(C)c2sc(NC(=O)c3cccc(OC(C)C)c3)nc12
InChIInChI=1S/C19H20N2O2S/c1-11(2)23-15-7-5-6-14(10-15)18(22)21-19-20-16-12(3)8-9-13(4)17(16)24-19/h5-11H,1-4H3,(H,20,21,22)
InChIKeyVONUXYJVJHLQAK-UHFFFAOYSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31893109
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-fluorobenzamide
CID 17100359
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-butoxy-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3483911
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 31154524
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide (CID 17100977) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide is Cc1ccc(C)c2sc(NC(=O)c3cccc(OC(C)C)c3)nc12.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
The InChIKey is VONUXYJVJHLQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-11(2)23-15-7-5-6-14(10-15)18(22)21-19-20-16-12(3)8-9-13(4)17(16)24-19/h5-11H,1-4H3,(H,20,21,22).
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide has a molecular weight of 340.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17100977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).