N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide

C16H14N2O3S — CID 18585483

IUPACN-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3ncsc3c2)c1OC
InChIInChI=1S/C16H14N2O3S/c1-20-13-5-3-4-11(15(13)21-2)16(19)18-10-6-7-12-14(8-10)22-9-17-12/h3-9H,1-2H3,(H,18,19)
InChIKeyQYVLIINGYRFZHX-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide

N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide (PubChem CID 18585483) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
PubChem CID18585483
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3ncsc3c2)c1OC
InChIInChI=1S/C16H14N2O3S/c1-20-13-5-3-4-11(15(13)21-2)16(19)18-10-6-7-12-14(8-10)22-9-17-12/h3-9H,1-2H3,(H,18,19)
InChIKeyQYVLIINGYRFZHX-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide (CID 18585483) is N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc3ncsc3c2)c1OC.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide?
The InChIKey is QYVLIINGYRFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-13-5-3-4-11(15(13)21-2)16(19)18-10-6-7-12-14(8-10)22-9-17-12/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide?
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 18585483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).