N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide

C19H20N2O4S — CID 2452584

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
SMILESCCc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3OC)sc2c1
InChIInChI=1S/C19H20N2O4S/c1-5-11-6-7-13-17(8-11)26-19(20-13)21-18(22)12-9-15(24-3)16(25-4)10-14(12)23-2/h6-10H,5H2,1-4H3,(H,20,21,22)
InChIKeyLRJVVQDLLJOXDE-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.14
Rot. Bonds6

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide (PubChem CID 2452584) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
PubChem CID2452584
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide
SMILESCCc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3OC)sc2c1
InChIInChI=1S/C19H20N2O4S/c1-5-11-6-7-13-17(8-11)26-19(20-13)21-18(22)12-9-15(24-3)16(25-4)10-14(12)23-2/h6-10H,5H2,1-4H3,(H,20,21,22)
InChIKeyLRJVVQDLLJOXDE-UHFFFAOYSA-N
XLogP4.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943
4-(difluoromethoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methoxy-2-nitrobenzamide
CID 24572776
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600418
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-ethyl-1,3-benzothiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24564323
(E)-3-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-phenylprop-2-enamide
CID 108767831
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 3364584
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide (CID 2452584) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide is CCc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3OC)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide?
The InChIKey is LRJVVQDLLJOXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-5-11-6-7-13-17(8-11)26-19(20-13)21-18(22)12-9-15(24-3)16(25-4)10-14(12)23-2/h6-10H,5H2,1-4H3,(H,20,21,22).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide has a molecular weight of 372.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 2452584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).