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

C12H14N2O3S — CID 1246268

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2=NCCS2)c1OC
InChIInChI=1S/C12H14N2O3S/c1-16-9-5-3-4-8(10(9)17-2)11(15)14-12-13-6-7-18-12/h3-5H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyYBRKJYPAHPVSCU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.54
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide (PubChem CID 1246268) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
PubChem CID1246268
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2=NCCS2)c1OC
InChIInChI=1S/C12H14N2O3S/c1-16-9-5-3-4-8(10(9)17-2)11(15)14-12-13-6-7-18-12/h3-5H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyYBRKJYPAHPVSCU-UHFFFAOYSA-N
XLogP1.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide (CID 1246268) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2=NCCS2)c1OC.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is YBRKJYPAHPVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-16-9-5-3-4-8(10(9)17-2)11(15)14-12-13-6-7-18-12/h3-5H,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 1246268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).