N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide

C17H16N2O4S — CID 2488235

IUPACN-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ncsc3c2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4S/c1-21-13-7-11(8-14(22-2)16(13)23-3)19-17(20)10-4-5-12-15(6-10)24-9-18-12/h4-9H,1-3H3,(H,19,20)
InChIKeyWMNZABGAQBUCTO-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.57
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide

N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2488235) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2488235
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ncsc3c2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4S/c1-21-13-7-11(8-14(22-2)16(13)23-3)19-17(20)10-4-5-12-15(6-10)24-9-18-12/h4-9H,1-3H3,(H,19,20)
InChIKeyWMNZABGAQBUCTO-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-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4621786
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 117093154
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide (CID 2488235) is N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide is COc1cc(NC(=O)c2ccc3ncsc3c2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is WMNZABGAQBUCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-13-7-11(8-14(22-2)16(13)23-3)19-17(20)10-4-5-12-15(6-10)24-9-18-12/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide 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-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2488235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).