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

C12H14N2O3S — CID 78791862

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

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide (PubChem CID 78791862) 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)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide
PubChem CID78791862
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C12H14N2O3S/c1-16-8-3-4-10(17-2)9(7-8)11(15)14-12-13-5-6-18-12/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyNCKFQODJCRBLCR-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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Related Compounds

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 5146476
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17451313
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 51204770
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
CID 115608605
2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393926
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2,5-dimethoxy-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284631
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide (CID 78791862) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide?
The InChIKey is NCKFQODJCRBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-16-8-3-4-10(17-2)9(7-8)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)-2,5-dimethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-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)-2,5-dimethoxybenzamide is sourced from PubChem (CID 78791862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).