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

C20H14N2O2S2 — CID 2811155

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)OCCO5)cs3)s2)nc1
InChIInChI=1S/C20H14N2O2S2/c1-2-8-21-14(3-1)18-6-7-19(26-18)20-22-15(12-25-20)13-4-5-16-17(11-13)24-10-9-23-16/h1-8,11-12H,9-10H2
InChIKeyNMXZQHGMSHLNDN-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.37
Rot. Bonds3

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole (PubChem CID 2811155) has the molecular formula C20H14N2O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
PubChem CID2811155
Molecular FormulaC20H14N2O2S2
Molecular Weight378.48 g/mol
Exact Mass378.05
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)OCCO5)cs3)s2)nc1
InChIInChI=1S/C20H14N2O2S2/c1-2-8-21-14(3-1)18-6-7-19(26-18)20-22-15(12-25-20)13-4-5-16-17(11-13)24-10-9-23-16/h1-8,11-12H,9-10H2
InChIKeyNMXZQHGMSHLNDN-UHFFFAOYSA-N
XLogP5.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-1,3-thiazole
CID 9320259
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-N'-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetohydrazide
CID 167752630
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole (CID 2811155) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)OCCO5)cs3)s2)nc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole?
The InChIKey is NMXZQHGMSHLNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S2/c1-2-8-21-14(3-1)18-6-7-19(26-18)20-22-15(12-25-20)13-4-5-16-17(11-13)24-10-9-23-16/h1-8,11-12H,9-10H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole has a molecular weight of 378.48 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 2811155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).