2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide

C14H14N2O3S — CID 2821634

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C14H14N2O3S/c1-16(2)14(17)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,7H2,1-2H3
InChIKeyVSVNXLFCAZVTOC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.36
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 2821634) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID2821634
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C14H14N2O3S/c1-16(2)14(17)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,7H2,1-2H3
InChIKeyVSVNXLFCAZVTOC-UHFFFAOYSA-N
XLogP2.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(Phenoxymethyl)-4-thiazolyl]ethanone
CID 2744803
[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl](thiophen-2-ylsulfanyl)methanone
CID 2821595
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 2821593
4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
Phenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate
CID 2821640
[2-Hydroxy-3-sulfanyl-1-(sulfanylmethyl)propyl] 2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole-4-carboxylate
CID 493392
3-Sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole-4-carboxylate
CID 493394
(2-Hydroxy-3-sulfanyl-propyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole-4-carboxylate
CID 493395
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(3-sulfanylpropyl)thiazole-4-carboxamide
CID 493396
1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 67356827
Ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate
CID 2779120
2-Sulfanylethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazole-4-carboxylate
CID 493393

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 2821634) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(C2COc3ccccc3O2)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is VSVNXLFCAZVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-16(2)14(17)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2821634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).