4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine

C15H9Cl2N3O2S — CID 1340336

IUPAC4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1
InChIInChI=1S/C15H9Cl2N3O2S/c16-9-4-5-12(13(17)6-9)14-8-23-15(19-14)18-10-2-1-3-11(7-10)20(21)22/h1-8H,(H,18,19)
InChIKeyQENHGWHFXRVNSH-UHFFFAOYSA-N
MW366.23 g/mol
LogP5.77
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine (PubChem CID 1340336) has the molecular formula C15H9Cl2N3O2S and a molecular weight of 366.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
PubChem CID1340336
Molecular FormulaC15H9Cl2N3O2S
Molecular Weight366.23 g/mol
Exact Mass364.98
IUPAC Name4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1
InChIInChI=1S/C15H9Cl2N3O2S/c16-9-4-5-12(13(17)6-9)14-8-23-15(19-14)18-10-2-1-3-11(7-10)20(21)22/h1-8H,(H,18,19)
InChIKeyQENHGWHFXRVNSH-UHFFFAOYSA-N
XLogP5.77
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.23
LogP ≤ 55.77
H-Bond Donors ≤ 51
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-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867135
N-[3-[1-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18899997
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203686
N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 57406324
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700
4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
CID 135777358
N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
carbanide;ethane;iron;4-(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156795672
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 135223031
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745528

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine (CID 1340336) is 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine is O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine?
The InChIKey is QENHGWHFXRVNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2S/c16-9-4-5-12(13(17)6-9)14-8-23-15(19-14)18-10-2-1-3-11(7-10)20(21)22/h1-8H,(H,18,19).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine has a molecular weight of 366.23 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1340336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).