7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C13H12N2O3S — CID 110763742

IUPAC7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1nccs1)OCCO2
InChIInChI=1S/C13H12N2O3S/c1-8-6-10-11(18-4-3-17-10)7-9(8)12(16)15-13-14-2-5-19-13/h2,5-7H,3-4H2,1H3,(H,14,15,16)
InChIKeyAJPSCINCSZCQTJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.48
Rot. Bonds2

About 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 110763742) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID110763742
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1nccs1)OCCO2
InChIInChI=1S/C13H12N2O3S/c1-8-6-10-11(18-4-3-17-10)7-9(8)12(16)15-13-14-2-5-19-13/h2,5-7H,3-4H2,1H3,(H,14,15,16)
InChIKeyAJPSCINCSZCQTJ-UHFFFAOYSA-N
XLogP2.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 52714198
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966
5-amino-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 86046983
5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 882261
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23907193
N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763647
3,5-dimethyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 58458875
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
N-[4-(dimethylamino)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763741
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134707818
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764062

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 110763742) is 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc2c(cc1C(=O)Nc1nccs1)OCCO2.
What is the InChIKey of 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is AJPSCINCSZCQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-6-10-11(18-4-3-17-10)7-9(8)12(16)15-13-14-2-5-19-13/h2,5-7H,3-4H2,1H3,(H,14,15,16).
What are the key properties of 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 110763742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).