2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole

C11H7F3N2O3S — CID 133391398

IUPAC2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cccc(Oc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-]
InChIInChI=1S/C11H7F3N2O3S/c1-6-3-2-4-7(9(6)16(17)18)19-10-15-8(5-20-10)11(12,13)14/h2-5H,1H3
InChIKeyWWACVSFYVYGIJY-UHFFFAOYSA-N
MW304.25 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole

2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133391398) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133391398
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cccc(Oc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-]
InChIInChI=1S/C11H7F3N2O3S/c1-6-3-2-4-7(9(6)16(17)18)19-10-15-8(5-20-10)11(12,13)14/h2-5H,1H3
InChIKeyWWACVSFYVYGIJY-UHFFFAOYSA-N
XLogP4.17
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.17
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

1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
1-methyl-2-nitro-3-[3,3,4,4-tetrafluoro-2-(3-methyl-2-nitrophenoxy)cyclobuten-1-yl]oxybenzene
CID 121234928
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
1-methyl-2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 84590418
3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
CID 102760816
1-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)-2-nitrobenzene
CID 133391416
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920594
5-fluoro-N-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80874791
5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
3-bromo-4-(3-methyl-2-nitrophenoxy)pyridine
CID 113452205
8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391380

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole (CID 133391398) is 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is Cc1cccc(Oc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WWACVSFYVYGIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c1-6-3-2-4-7(9(6)16(17)18)19-10-15-8(5-20-10)11(12,13)14/h2-5H,1H3.
What are the key properties of 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 304.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133391398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).