3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide

C12H12N2O3S — CID 721807

IUPAC3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C12H12N2O3S/c1-16-9-4-3-8(7-10(9)17-2)11(15)14-12-13-5-6-18-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyGDGIKZDIFNTCHB-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.41
Rot. Bonds4

About 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide

3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 721807) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID721807
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C12H12N2O3S/c1-16-9-4-3-8(7-10(9)17-2)11(15)14-12-13-5-6-18-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyGDGIKZDIFNTCHB-UHFFFAOYSA-N
XLogP2.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 721807) is 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is GDGIKZDIFNTCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-9-4-3-8(7-10(9)17-2)11(15)14-12-13-5-6-18-12/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide?
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 264.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 721807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).