3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide

C13H14N2O4S — CID 606801

IUPAC3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C13H14N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyXSAYHNGEJLPKEX-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.42
Rot. Bonds5

About 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide

3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 606801) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID606801
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C13H14N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyXSAYHNGEJLPKEX-UHFFFAOYSA-N
XLogP2.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 606801) is 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XSAYHNGEJLPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide?
3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 294.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 606801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).