4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole

C10H6ClFN2O3S — CID 114416576

IUPAC4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
SMILESCc1cc(Oc2nc(Cl)cs2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6ClFN2O3S/c1-5-2-8(6(12)3-7(5)14(15)16)17-10-13-9(11)4-18-10/h2-4H,1H3
InChIKeyNZRSBEMFBKSFMY-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.94
Rot. Bonds3

About 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole

4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole (PubChem CID 114416576) has the molecular formula C10H6ClFN2O3S and a molecular weight of 288.69 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
PubChem CID114416576
Molecular FormulaC10H6ClFN2O3S
Molecular Weight288.69 g/mol
Exact Mass287.98
IUPAC Name4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
SMILESCc1cc(Oc2nc(Cl)cs2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H6ClFN2O3S/c1-5-2-8(6(12)3-7(5)14(15)16)17-10-13-9(11)4-18-10/h2-4H,1H3
InChIKeyNZRSBEMFBKSFMY-UHFFFAOYSA-N
XLogP3.94
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.94
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-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
4-(2-fluoro-5-methyl-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 114417014
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)benzonitrile
CID 114416625
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole (CID 114416576) is 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole is Cc1cc(Oc2nc(Cl)cs2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole?
The InChIKey is NZRSBEMFBKSFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O3S/c1-5-2-8(6(12)3-7(5)14(15)16)17-10-13-9(11)4-18-10/h2-4H,1H3.
What are the key properties of 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole?
4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole has a molecular weight of 288.69 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole is sourced from PubChem (CID 114416576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).