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

C17H16N2O4S — CID 18585505

IUPACN-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3scnc3c2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4S/c1-21-13-6-10(7-14(22-2)16(13)23-3)17(20)19-11-4-5-15-12(8-11)18-9-24-15/h4-9H,1-3H3,(H,19,20)
InChIKeyFZEHOUMDTFWSMU-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.57
Rot. Bonds5

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

N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 18585505) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID18585505
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3scnc3c2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4S/c1-21-13-6-10(7-14(22-2)16(13)23-3)17(20)19-11-4-5-15-12(8-11)18-9-24-15/h4-9H,1-3H3,(H,19,20)
InChIKeyFZEHOUMDTFWSMU-UHFFFAOYSA-N
XLogP3.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
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-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide (CID 18585505) is N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3scnc3c2)cc(OC)c1OC.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is FZEHOUMDTFWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-13-6-10(7-14(22-2)16(13)23-3)17(20)19-11-4-5-15-12(8-11)18-9-24-15/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide?
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 344.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 18585505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).