2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole

C9H4Cl2N2O3S — CID 11837169

IUPAC2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole
SMILESO=[N+]([O-])c1cnc(Oc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C9H4Cl2N2O3S/c10-5-1-6(11)3-7(2-5)16-9-12-4-8(17-9)13(14)15/h1-4H
InChIKeyCLGHNPHIWANVBO-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.15
Rot. Bonds3

About 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole

2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole (PubChem CID 11837169) has the molecular formula C9H4Cl2N2O3S and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole
PubChem CID11837169
Molecular FormulaC9H4Cl2N2O3S
Molecular Weight291.12 g/mol
Exact Mass289.93
IUPAC Name2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole
SMILESO=[N+]([O-])c1cnc(Oc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C9H4Cl2N2O3S/c10-5-1-6(11)3-7(2-5)16-9-12-4-8(17-9)13(14)15/h1-4H
InChIKeyCLGHNPHIWANVBO-UHFFFAOYSA-N
XLogP4.15
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.15
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

2-(4-bromo-3,5-dimethylphenoxy)-5-nitro-1,3-thiazole
CID 107724061
2-(3-chlorophenoxy)-5-nitropyrimidine
CID 91903136
5-nitro-2-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]-1,3-thiazole
CID 21325006
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
2-[(5-chloro-3-pyridinyl)oxy]-1,3-thiazol-5-amine
CID 102769518
5-nitro-N-pyrrol-1-yl-1,3-thiazol-2-amine
CID 102770909
1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 4672772
[(E)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] 4-chlorobenzoate
CID 6375789
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
methyl (E)-3-methoxy-2-[2-[(5-nitro-1,3-thiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 14421305
(3-chloro-4-methylphenyl)-(5-nitro-1,3-thiazol-2-yl)methanone
CID 154117744
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
CID 43622036

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole?
The IUPAC name of 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole (CID 11837169) is 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole is O=[N+]([O-])c1cnc(Oc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole?
The InChIKey is CLGHNPHIWANVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O3S/c10-5-1-6(11)3-7(2-5)16-9-12-4-8(17-9)13(14)15/h1-4H.
What are the key properties of 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole?
2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole has a molecular weight of 291.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-5-nitro-1,3-thiazole is sourced from PubChem (CID 11837169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).