4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide

C17H16N2O3S — CID 142948743

IUPAC4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(OC)c(C)c3)sc2c1
InChIInChI=1S/C17H16N2O3S/c1-10-8-11(4-7-14(10)22-3)16(20)19-17-18-13-6-5-12(21-2)9-15(13)23-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyMUFJOZBCZUDENB-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.87
Rot. Bonds4

About 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide (PubChem CID 142948743) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
PubChem CID142948743
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(OC)c(C)c3)sc2c1
InChIInChI=1S/C17H16N2O3S/c1-10-8-11(4-7-14(10)22-3)16(20)19-17-18-13-6-5-12(21-2)9-15(13)23-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyMUFJOZBCZUDENB-UHFFFAOYSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide (CID 142948743) is 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide is COc1ccc2nc(NC(=O)c3ccc(OC)c(C)c3)sc2c1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The InChIKey is MUFJOZBCZUDENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10-8-11(4-7-14(10)22-3)16(20)19-17-18-13-6-5-12(21-2)9-15(13)23-17/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide?
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 142948743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).