3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide

C17H16N2O5S — CID 15990360

IUPAC3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O5S/c1-22-12-6-9(7-13(23-2)15(12)24-3)16(20)18-10-4-5-11-14(8-10)25-17(21)19-11/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyWBXOVQMIYIXVLR-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.87
Rot. Bonds5

About 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide

3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide (PubChem CID 15990360) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
PubChem CID15990360
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O5S/c1-22-12-6-9(7-13(23-2)15(12)24-3)16(20)18-10-4-5-11-14(8-10)25-17(21)19-11/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyWBXOVQMIYIXVLR-UHFFFAOYSA-N
XLogP2.87
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide
CID 139222900
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364682

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide (CID 15990360) is 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide is COc1cc(C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is WBXOVQMIYIXVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-22-12-6-9(7-13(23-2)15(12)24-3)16(20)18-10-4-5-11-14(8-10)25-17(21)19-11/h4-8H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide?
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 15990360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).