4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole

C11H10BrN3O3S — CID 164858810

IUPAC4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@@H](C)Oc2cc(Br)cnc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H10BrN3O3S/c1-6(9-5-19-7(2)14-9)18-10-3-8(12)4-13-11(10)15(16)17/h3-6H,1-2H3/t6-/m1/s1
InChIKeyDUXYOYWDRSCSJQ-ZCFIWIBFSA-N
MW344.19 g/mol
LogP3.66
Rot. Bonds4

About 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole

4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole (PubChem CID 164858810) has the molecular formula C11H10BrN3O3S and a molecular weight of 344.19 g/mol. Its IUPAC name is 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole
PubChem CID164858810
Molecular FormulaC11H10BrN3O3S
Molecular Weight344.19 g/mol
Exact Mass342.96
IUPAC Name4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@@H](C)Oc2cc(Br)cnc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H10BrN3O3S/c1-6(9-5-19-7(2)14-9)18-10-3-8(12)4-13-11(10)15(16)17/h3-6H,1-2H3/t6-/m1/s1
InChIKeyDUXYOYWDRSCSJQ-ZCFIWIBFSA-N
XLogP3.66
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
CID 164859055
2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 164859458
2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 170429338
5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole
CID 170429147
5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine
CID 164859228
5-bromo-3-iodo-2-nitropyridine
CID 130647643
N-(5-bromo-3-nitro-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 61373220
5-bromo-3-chloro-2-nitropyridine
CID 131027901
1-[[4-[2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-1,3-thiazol-5-yl]methyl]pyrazole-4-carbonitrile
CID 166559877
1-[[4-[2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]-1,3-thiazol-5-yl]methyl]imidazole-4-carbonitrile
CID 164718944
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitroaniline
CID 43717813

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole (CID 164858810) is 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole is Cc1nc([C@@H](C)Oc2cc(Br)cnc2[N+](=O)[O-])cs1.
What is the InChIKey of 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is DUXYOYWDRSCSJQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10BrN3O3S/c1-6(9-5-19-7(2)14-9)18-10-3-8(12)4-13-11(10)15(16)17/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole?
4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 344.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 164858810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).