2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole

C11H8F2N2O3S — CID 107511895

IUPAC2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2c(F)ccc([N+](=O)[O-])c2F)n1
InChIInChI=1S/C11H8F2N2O3S/c1-18-4-6-5-19-11(14-6)9-7(12)2-3-8(10(9)13)15(16)17/h2-3,5H,4H2,1H3
InChIKeyGGPLAHIZRIXSDP-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.14
Rot. Bonds4

About 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole

2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511895) has the molecular formula C11H8F2N2O3S and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511895
Molecular FormulaC11H8F2N2O3S
Molecular Weight286.26 g/mol
Exact Mass286.02
IUPAC Name2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(-c2c(F)ccc([N+](=O)[O-])c2F)n1
InChIInChI=1S/C11H8F2N2O3S/c1-18-4-6-5-19-11(14-6)9-7(12)2-3-8(10(9)13)15(16)17/h2-3,5H,4H2,1H3
InChIKeyGGPLAHIZRIXSDP-UHFFFAOYSA-N
XLogP3.14
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.14
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-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
2,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzamide
CID 103740603
2-(3-fluoro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazole
CID 107512025
1-[2-(2,6-difluoro-3-nitrophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79757174
4-[(5-fluoro-2-nitrophenoxy)methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 9492660
2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428156
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 79759449
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 79768439
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
2-[5-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 79772716
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole (CID 107511895) is 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole is COCc1csc(-c2c(F)ccc([N+](=O)[O-])c2F)n1.
What is the InChIKey of 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is GGPLAHIZRIXSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3S/c1-18-4-6-5-19-11(14-6)9-7(12)2-3-8(10(9)13)15(16)17/h2-3,5H,4H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole?
2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 286.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).