N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide

C13H16N2O4S — CID 737646

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2=NCCS2)cc(OC)c1OC
InChIInChI=1S/C13H16N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyCBVKOIGOWSRXAU-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.54
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 737646) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID737646
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2=NCCS2)cc(OC)c1OC
InChIInChI=1S/C13H16N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyCBVKOIGOWSRXAU-UHFFFAOYSA-N
XLogP1.54
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide (CID 737646) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2=NCCS2)cc(OC)c1OC.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is CBVKOIGOWSRXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 296.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 737646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).