methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate

C14H14N2O4S — CID 78916368

IUPACmethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc3c(c2)OCCO3)nc1C
InChIInChI=1S/C14H14N2O4S/c1-8-12(13(17)18-2)21-14(15-8)16-9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyASNVHEDYBGJAOE-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.75
Rot. Bonds3

About methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 78916368) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID78916368
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc3c(c2)OCCO3)nc1C
InChIInChI=1S/C14H14N2O4S/c1-8-12(13(17)18-2)21-14(15-8)16-9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7H,5-6H2,1-2H3,(H,15,16)
InChIKeyASNVHEDYBGJAOE-UHFFFAOYSA-N
XLogP2.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate 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

methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 2814833
methyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55383821
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
methyl 2-(3-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569757
1,3-benzodioxol-5-yl-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 11964460
2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468246
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968745
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridazine-3-carboxylate
CID 167970549

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 78916368) is methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccc3c(c2)OCCO3)nc1C.
What is the InChIKey of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ASNVHEDYBGJAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-12(13(17)18-2)21-14(15-8)16-9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7H,5-6H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78916368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).