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

C15H9N3O4S — CID 45142332

IUPAC2,4-bis(3-nitrophenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1
InChIInChI=1S/C15H9N3O4S/c19-17(20)12-5-1-3-10(7-12)14-9-23-15(16-14)11-4-2-6-13(8-11)18(21)22/h1-9H
InChIKeyPHWMYZJDTTYAOE-UHFFFAOYSA-N
MW327.32 g/mol
LogP4.29
Rot. Bonds4

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

2,4-bis(3-nitrophenyl)-1,3-thiazole (PubChem CID 45142332) has the molecular formula C15H9N3O4S and a molecular weight of 327.32 g/mol. Its IUPAC name is 2,4-bis(3-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis(3-nitrophenyl)-1,3-thiazole
PubChem CID45142332
Molecular FormulaC15H9N3O4S
Molecular Weight327.32 g/mol
Exact Mass327.03
IUPAC Name2,4-bis(3-nitrophenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1
InChIInChI=1S/C15H9N3O4S/c19-17(20)12-5-1-3-10(7-12)14-9-23-15(16-14)11-4-2-6-13(8-11)18(21)22/h1-9H
InChIKeyPHWMYZJDTTYAOE-UHFFFAOYSA-N
XLogP4.29
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 54.29
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-(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-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063
4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1,3-thiazole
CID 135822805
4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
CID 60528720
2-bromo-4-(3-nitrophenyl)-1,3-thiazole;ethanol
CID 176652782
2-(3-nitrophenyl)-4-propyl-1,3-thiazole
CID 113239665

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-nitrophenyl)-1,3-thiazole?
The IUPAC name of 2,4-bis(3-nitrophenyl)-1,3-thiazole (CID 45142332) is 2,4-bis(3-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 2,4-bis(3-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 2,4-bis(3-nitrophenyl)-1,3-thiazole is O=[N+]([O-])c1cccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1.
What is the InChIKey of 2,4-bis(3-nitrophenyl)-1,3-thiazole?
The InChIKey is PHWMYZJDTTYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O4S/c19-17(20)12-5-1-3-10(7-12)14-9-23-15(16-14)11-4-2-6-13(8-11)18(21)22/h1-9H.
What are the key properties of 2,4-bis(3-nitrophenyl)-1,3-thiazole?
2,4-bis(3-nitrophenyl)-1,3-thiazole has a molecular weight of 327.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 45142332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).