2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole

C14H9BrN2O2S2 — CID 84715890

IUPAC2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole
SMILESBrc1sc(-c2nc(-c3cccnc3)cs2)c2c1OCCO2
InChIInChI=1S/C14H9BrN2O2S2/c15-13-11-10(18-4-5-19-11)12(21-13)14-17-9(7-20-14)8-2-1-3-16-6-8/h1-3,6-7H,4-5H2
InChIKeyJVXINWAPODSJQD-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.47
Rot. Bonds2

About 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole

2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole (PubChem CID 84715890) has the molecular formula C14H9BrN2O2S2 and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole
PubChem CID84715890
Molecular FormulaC14H9BrN2O2S2
Molecular Weight381.28 g/mol
Exact Mass379.93
IUPAC Name2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole
SMILESBrc1sc(-c2nc(-c3cccnc3)cs2)c2c1OCCO2
InChIInChI=1S/C14H9BrN2O2S2/c15-13-11-10(18-4-5-19-11)12(21-13)14-17-9(7-20-14)8-2-1-3-16-6-8/h1-3,6-7H,4-5H2
InChIKeyJVXINWAPODSJQD-UHFFFAOYSA-N
XLogP4.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole with MolForge

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Related Compounds

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 84715807
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
CID 116965446
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 63020540
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 171358589
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826784
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
3-oxo-6-(2-pyridin-3-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazine-8-carbonitrile
CID 11638557

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole (CID 84715890) is 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole is Brc1sc(-c2nc(-c3cccnc3)cs2)c2c1OCCO2.
What is the InChIKey of 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is JVXINWAPODSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2S2/c15-13-11-10(18-4-5-19-11)12(21-13)14-17-9(7-20-14)8-2-1-3-16-6-8/h1-3,6-7H,4-5H2.
What are the key properties of 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole?
2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 381.28 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 84715890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).