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

C16H14N2O3S — CID 2596988

IUPAC3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-11-5-3-4-10(8-11)15(19)18-16-17-13-7-6-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyFNDFGNMCQOJEDG-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

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

3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2596988) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID2596988
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-11-5-3-4-10(8-11)15(19)18-16-17-13-7-6-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyFNDFGNMCQOJEDG-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

Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-Benzothiazol-2-yl-3-(4-methoxy-phenyl)-urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
US10251893, Cpd 6
CID 46926811
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 2596988) is 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1.
What is the InChIKey of 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FNDFGNMCQOJEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-11-5-3-4-10(8-11)15(19)18-16-17-13-7-6-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide 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 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2596988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).