N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide

C18H18N2O3S — CID 7192786

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-10-7-11(2)16-13(8-10)19-18(24-16)20-17(21)12-5-6-14(22-3)15(9-12)23-4/h5-9H,1-4H3,(H,19,20,21)
InChIKeyINGYKNZZTGMRFN-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.18
Rot. Bonds4

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide (PubChem CID 7192786) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
PubChem CID7192786
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-10-7-11(2)16-13(8-10)19-18(24-16)20-17(21)12-5-6-14(22-3)15(9-12)23-4/h5-9H,1-4H3,(H,19,20,21)
InChIKeyINGYKNZZTGMRFN-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 7152613
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide (CID 7192786) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1OC.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is INGYKNZZTGMRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10-7-11(2)16-13(8-10)19-18(24-16)20-17(21)12-5-6-14(22-3)15(9-12)23-4/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 342.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 7192786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).