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

C15H11N3O2S — CID 2959231

IUPACN-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H11N3O2S/c19-18(20)14-9-5-4-8-12(14)16-15-17-13(10-21-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyYJACSSHYOYINSL-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.46
Rot. Bonds4

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

N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2959231) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID2959231
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H11N3O2S/c19-18(20)14-9-5-4-8-12(14)16-15-17-13(10-21-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyYJACSSHYOYINSL-UHFFFAOYSA-N
XLogP4.46
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.46
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

3-(2-nitrophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1304786
N-[6-(3-nitrophenyl)pyridazin-3-yl]-4-phenyl-1,3-thiazol-2-amine
CID 108779413
N-(6-chloro-5-nitropyrimidin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 108779456
(E)-3-(2-nitroanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2856066
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
N-(2-chloro-4-nitrophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 57406324
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-nitrobenzoate
CID 16796710
N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
CID 2295552
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 42965380
2-(2-nitroanilino)-4-phenylthiophene-3-carbonitrile
CID 126539633
4-(4-phenylphenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazol-2-amine
CID 10177932

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine (CID 2959231) is N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine is O=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YJACSSHYOYINSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-18(20)14-9-5-4-8-12(14)16-15-17-13(10-21-15)11-6-2-1-3-7-11/h1-10H,(H,16,17).
What are the key properties of N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine?
N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 297.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2959231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).