4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole

C9H4BrClN2O3S — CID 79398869

IUPAC4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2nc(Br)cs2)cc1Cl
InChIInChI=1S/C9H4BrClN2O3S/c10-8-4-17-9(12-8)16-5-1-2-7(13(14)15)6(11)3-5/h1-4H
InChIKeySFTSCGZURJJICN-UHFFFAOYSA-N
MW335.57 g/mol
LogP4.26
Rot. Bonds3

About 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole

4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole (PubChem CID 79398869) has the molecular formula C9H4BrClN2O3S and a molecular weight of 335.57 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole
PubChem CID79398869
Molecular FormulaC9H4BrClN2O3S
Molecular Weight335.57 g/mol
Exact Mass333.88
IUPAC Name4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Oc2nc(Br)cs2)cc1Cl
InChIInChI=1S/C9H4BrClN2O3S/c10-8-4-17-9(12-8)16-5-1-2-7(13(14)15)6(11)3-5/h1-4H
InChIKeySFTSCGZURJJICN-UHFFFAOYSA-N
XLogP4.26
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-bromo-2-(5-chloro-2-nitrophenoxy)-1,3-thiazole
CID 79399235
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine
CID 80647936
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
4-(3-chloro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332407
6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458284
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
1-(3-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665261
4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
CID 83152267
2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile
CID 62113771
2-bromo-6-(3-chloro-4-nitrophenoxy)benzonitrile
CID 114881660

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole (CID 79398869) is 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole is O=[N+]([O-])c1ccc(Oc2nc(Br)cs2)cc1Cl.
What is the InChIKey of 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole?
The InChIKey is SFTSCGZURJJICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O3S/c10-8-4-17-9(12-8)16-5-1-2-7(13(14)15)6(11)3-5/h1-4H.
What are the key properties of 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole?
4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole has a molecular weight of 335.57 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole is sourced from PubChem (CID 79398869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).