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

C10H7ClN2O4S — CID 83152267

IUPAC4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
SMILESCOc1ccc(Oc2nc(Cl)cs2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7ClN2O4S/c1-16-6-2-3-8(7(4-6)13(14)15)17-10-12-9(11)5-18-10/h2-5H,1H3
InChIKeyZWGWMDCBVVVWSM-UHFFFAOYSA-N
MW286.70 g/mol
LogP3.51
Rot. Bonds4

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

4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole (PubChem CID 83152267) has the molecular formula C10H7ClN2O4S and a molecular weight of 286.70 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
PubChem CID83152267
Molecular FormulaC10H7ClN2O4S
Molecular Weight286.70 g/mol
Exact Mass285.98
IUPAC Name4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
SMILESCOc1ccc(Oc2nc(Cl)cs2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7ClN2O4S/c1-16-6-2-3-8(7(4-6)13(14)15)17-10-12-9(11)5-18-10/h2-5H,1H3
InChIKeyZWGWMDCBVVVWSM-UHFFFAOYSA-N
XLogP3.51
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 53.51
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

4-chloro-5-(chloromethyl)-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
CID 80687781
4-chloro-6-(4-methoxy-2-nitrophenoxy)-2-methylsulfanylpyrimidine
CID 112724522
3-chloro-4-(4-methoxy-2-nitrophenoxy)-1,2,5-thiadiazole
CID 60726071
4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
CID 114416576
3,6-dichloro-5-(4-methoxy-2-nitrophenoxy)-1,2,4-triazine
CID 81037104
5-bromo-3-chloro-2-(4-methoxy-2-nitrophenoxy)pyridine
CID 103583671
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole (CID 83152267) is 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole is COc1ccc(Oc2nc(Cl)cs2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole?
The InChIKey is ZWGWMDCBVVVWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S/c1-16-6-2-3-8(7(4-6)13(14)15)17-10-12-9(11)5-18-10/h2-5H,1H3.
What are the key properties of 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole?
4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole has a molecular weight of 286.70 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole is sourced from PubChem (CID 83152267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).