2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate

C14H13N2O4S- — CID 9149014

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(NCc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14N2O4S/c17-13(18)6-10-8-21-14(16-10)15-7-9-1-2-11-12(5-9)20-4-3-19-11/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H,17,18)/p-1
InChIKeyUYIYDZRJVWOQQN-UHFFFAOYSA-M
MW305.34 g/mol
LogP0.82
Rot. Bonds5

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate

2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 9149014) has the molecular formula C14H13N2O4S- and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID9149014
Molecular FormulaC14H13N2O4S-
Molecular Weight305.34 g/mol
Exact Mass305.06
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(NCc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14N2O4S/c17-13(18)6-10-8-21-14(16-10)15-7-9-1-2-11-12(5-9)20-4-3-19-11/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H,17,18)/p-1
InChIKeyUYIYDZRJVWOQQN-UHFFFAOYSA-M
XLogP0.82
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812
N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568111
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate
CID 7443094
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 117082905
N-[4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55369025
N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dichlorobenzamide
CID 23823504
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17494811
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957251
N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 31629348
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 52900330
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate (CID 9149014) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(NCc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is UYIYDZRJVWOQQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O4S/c17-13(18)6-10-8-21-14(16-10)15-7-9-1-2-11-12(5-9)20-4-3-19-11/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 305.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9149014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).