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

C17H14N2O4S — CID 60528720

IUPAC4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1
InChIInChI=1S/C17H14N2O4S/c1-22-13-6-7-14(16(9-13)23-2)15-10-24-17(18-15)11-4-3-5-12(8-11)19(20)21/h3-10H,1-2H3
InChIKeyDHBCXOBCJIZHQX-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.40
Rot. Bonds5

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

4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole (PubChem CID 60528720) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
PubChem CID60528720
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1
InChIInChI=1S/C17H14N2O4S/c1-22-13-6-7-14(16(9-13)23-2)15-10-24-17(18-15)11-4-3-5-12(8-11)19(20)21/h3-10H,1-2H3
InChIKeyDHBCXOBCJIZHQX-UHFFFAOYSA-N
XLogP4.40
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.40
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

2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
4-(2,5-dimethoxyphenyl)-2-[2-[(3-nitrophenyl)methylsulfanyl]-4-pyridinyl]-1,3-thiazole
CID 103597321
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2-(2,4-dimethoxyphenyl)-5-nitro-1,3-benzothiazole
CID 23085740
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole (CID 60528720) is 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole is COc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole?
The InChIKey is DHBCXOBCJIZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-13-6-7-14(16(9-13)23-2)15-10-24-17(18-15)11-4-3-5-12(8-11)19(20)21/h3-10H,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole?
4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole has a molecular weight of 342.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 60528720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).