2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole

C18H13NO4S — CID 2811159

IUPAC2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(-c3ccc4c(c3)OCO4)n1)OCCO2
InChIInChI=1S/C18H13NO4S/c1-3-14-16(21-6-5-20-14)7-11(1)13-9-24-18(19-13)12-2-4-15-17(8-12)23-10-22-15/h1-4,7-9H,5-6,10H2
InChIKeyQKKVLGNXWHQUFT-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.98
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole

2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole (PubChem CID 2811159) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
PubChem CID2811159
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
SMILESc1cc2c(cc1-c1csc(-c3ccc4c(c3)OCO4)n1)OCCO2
InChIInChI=1S/C18H13NO4S/c1-3-14-16(21-6-5-20-14)7-11(1)13-9-24-18(19-13)12-2-4-15-17(8-12)23-10-22-15/h1-4,7-9H,5-6,10H2
InChIKeyQKKVLGNXWHQUFT-UHFFFAOYSA-N
XLogP3.98
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole with MolForge

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Related Compounds

[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-1,3-thiazole
CID 9320259
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
CID 2811155
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 20944699
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole (CID 2811159) is 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole is c1cc2c(cc1-c1csc(-c3ccc4c(c3)OCO4)n1)OCCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
The InChIKey is QKKVLGNXWHQUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S/c1-3-14-16(21-6-5-20-14)7-11(1)13-9-24-18(19-13)12-2-4-15-17(8-12)23-10-22-15/h1-4,7-9H,5-6,10H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole?
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole has a molecular weight of 339.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole is sourced from PubChem (CID 2811159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).