N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine

C15H10BrN3O2S — CID 59994351

IUPACN-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(-c2cnc(Nc3cccc(Br)c3)s2)c1
InChIInChI=1S/C15H10BrN3O2S/c16-11-4-2-5-12(8-11)18-15-17-9-14(22-15)10-3-1-6-13(7-10)19(20)21/h1-9H,(H,17,18)
InChIKeyIDBCOOZSUZWOPJ-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.22
Rot. Bonds4

About N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine

N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine (PubChem CID 59994351) has the molecular formula C15H10BrN3O2S and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine
PubChem CID59994351
Molecular FormulaC15H10BrN3O2S
Molecular Weight376.24 g/mol
Exact Mass374.97
IUPAC NameN-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1cccc(-c2cnc(Nc3cccc(Br)c3)s2)c1
InChIInChI=1S/C15H10BrN3O2S/c16-11-4-2-5-12(8-11)18-15-17-9-14(22-15)10-3-1-6-13(7-10)19(20)21/h1-9H,(H,17,18)
InChIKeyIDBCOOZSUZWOPJ-UHFFFAOYSA-N
XLogP5.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.22
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

5-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 13443925
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
N-(3-bromophenyl)-6-nitroquinolin-4-amine
CID 46197130
1-bromo-3-nitrobenzene;zinc
CID 159421870
N-(3,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 11652687
5-bromo-2-chloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4142059
3-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 61147349
(4-nitrophenyl) N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]carbamate
CID 58958448
(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869650
5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87368526
5-(4-bromophenyl)-6-ethyl-N-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012353
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine (CID 59994351) is N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine is O=[N+]([O-])c1cccc(-c2cnc(Nc3cccc(Br)c3)s2)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine?
The InChIKey is IDBCOOZSUZWOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2S/c16-11-4-2-5-12(8-11)18-15-17-9-14(22-15)10-3-1-6-13(7-10)19(20)21/h1-9H,(H,17,18).
What are the key properties of N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine?
N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine has a molecular weight of 376.24 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59994351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).