2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole

C15H8Cl2N2O2S — CID 21100331

IUPAC2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)cc1
InChIInChI=1S/C15H8Cl2N2O2S/c16-11-2-1-3-12(17)14(11)15-18-8-13(22-15)9-4-6-10(7-5-9)19(20)21/h1-8H
InChIKeyMFOYKUSSHOYHSG-UHFFFAOYSA-N
MW351.21 g/mol
LogP5.69
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole

2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole (PubChem CID 21100331) has the molecular formula C15H8Cl2N2O2S and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
PubChem CID21100331
Molecular FormulaC15H8Cl2N2O2S
Molecular Weight351.21 g/mol
Exact Mass349.97
IUPAC Name2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)cc1
InChIInChI=1S/C15H8Cl2N2O2S/c16-11-2-1-3-12(17)14(11)15-18-8-13(22-15)9-4-6-10(7-5-9)19(20)21/h1-8H
InChIKeyMFOYKUSSHOYHSG-UHFFFAOYSA-N
XLogP5.69
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.21
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-5-(4-nitrophenyl)-1,3-thiazole
CID 58780787
5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 13443925
2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide
CID 21100333
2-[(E)-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 135610640
5-(2-chloro-6-fluorophenyl)-2-nitropyridine
CID 165487980
N,N-dimethyl-N'-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]methanimidamide
CID 13443927
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441
5,10,15-tris(2,6-dichlorophenyl)-20-(4-nitrophenyl)-21,23-dihydroporphyrin
CID 141330427
2-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 20850051
2-(4-nitrophenyl)thiophene
CID 609512
2,3,3-trimethyl-4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid
CID 174686257
2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
CID 133087508

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole (CID 21100331) is 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole is O=[N+]([O-])c1ccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole?
The InChIKey is MFOYKUSSHOYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2S/c16-11-2-1-3-12(17)14(11)15-18-8-13(22-15)9-4-6-10(7-5-9)19(20)21/h1-8H.
What are the key properties of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole?
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole has a molecular weight of 351.21 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 21100331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).