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

C14H16N2O4S — CID 2314314

IUPAC3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cs2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-8-7-21-14(15-8)16-13(17)9-5-10(18-2)12(20-4)11(6-9)19-3/h5-7H,1-4H3,(H,15,16,17)
InChIKeyBZDIUEVLSFGECN-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.73
Rot. Bonds5

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

3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2314314) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2314314
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc(C)cs2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-8-7-21-14(15-8)16-13(17)9-5-10(18-2)12(20-4)11(6-9)19-3/h5-7H,1-4H3,(H,15,16,17)
InChIKeyBZDIUEVLSFGECN-UHFFFAOYSA-N
XLogP2.73
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.73
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-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2314314) is 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc(C)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BZDIUEVLSFGECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-8-7-21-14(15-8)16-13(17)9-5-10(18-2)12(20-4)11(6-9)19-3/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3,4,5-trimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 2.73, 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-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2314314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).