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

C12H14N2O3S — CID 2460037

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C12H14N2O3S/c1-16-9-5-8(6-10(7-9)17-2)11(15)14-12-13-3-4-18-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyJFPBMGKPPQFZGB-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.54
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 2460037) 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)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID2460037
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C12H14N2O3S/c1-16-9-5-8(6-10(7-9)17-2)11(15)14-12-13-3-4-18-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyJFPBMGKPPQFZGB-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)-3,5-dimethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide (CID 2460037) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is JFPBMGKPPQFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-16-9-5-8(6-10(7-9)17-2)11(15)14-12-13-3-4-18-12/h5-7H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-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)-3,5-dimethoxybenzamide is sourced from PubChem (CID 2460037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).