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

C11H10N2O3S — CID 107511770

IUPAC4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N2O3S/c1-16-6-9-7-17-11(12-9)8-2-4-10(5-3-8)13(14)15/h2-5,7H,6H2,1H3
InChIKeyCJHTUVIFWAOMSM-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.86
Rot. Bonds4

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

4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole (PubChem CID 107511770) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
PubChem CID107511770
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
SMILESCOCc1csc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N2O3S/c1-16-6-9-7-17-11(12-9)8-2-4-10(5-3-8)13(14)15/h2-5,7H,6H2,1H3
InChIKeyCJHTUVIFWAOMSM-UHFFFAOYSA-N
XLogP2.86
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.86
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

methyl 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039821
4-[4-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564841
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
4-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-1,3-thiazole
CID 8946764
2-(methoxymethyl)-4-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
CID 133331294
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-nitrobenzoate
CID 7813594
4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 17139383
2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511895
2-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 8590734
2-(4-methoxyphenyl)-4-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 8648428
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-nitrobenzamide
CID 35341875
1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544117

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole (CID 107511770) is 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole is COCc1csc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole?
The InChIKey is CJHTUVIFWAOMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-6-9-7-17-11(12-9)8-2-4-10(5-3-8)13(14)15/h2-5,7H,6H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole?
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole has a molecular weight of 250.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 107511770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).