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

C12H14N2O3S — CID 669323

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2=NCCS2)c(OC)c1
InChIInChI=1S/C12H14N2O3S/c1-16-8-3-4-9(10(7-8)17-2)11(15)14-12-13-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyGDTDXZCMPQVDNX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.54
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 669323) 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)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID669323
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2=NCCS2)c(OC)c1
InChIInChI=1S/C12H14N2O3S/c1-16-8-3-4-9(10(7-8)17-2)11(15)14-12-13-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyGDTDXZCMPQVDNX-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)-2,4-dimethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide (CID 669323) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2=NCCS2)c(OC)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is GDTDXZCMPQVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-16-8-3-4-9(10(7-8)17-2)11(15)14-12-13-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-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)-2,4-dimethoxybenzamide is sourced from PubChem (CID 669323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).