N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide

C16H14BrN3O3S — CID 16681989

IUPACN-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C16H13N3O3S.BrH/c1-22-15-8-3-2-7-13(15)17-16-18-14(10-23-16)11-5-4-6-12(9-11)19(20)21;/h2-10H,1H3,(H,17,18);1H
InChIKeyUSOGSGIFDQNGJF-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.05
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide

N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 16681989) has the molecular formula C16H14BrN3O3S and a molecular weight of 408.28 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID16681989
Molecular FormulaC16H14BrN3O3S
Molecular Weight408.28 g/mol
Exact Mass406.99
IUPAC NameN-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C16H13N3O3S.BrH/c1-22-15-8-3-2-7-13(15)17-16-18-14(10-23-16)11-5-4-6-12(9-11)19(20)21;/h2-10H,1H3,(H,17,18);1H
InChIKeyUSOGSGIFDQNGJF-UHFFFAOYSA-N
XLogP5.05
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.05
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
N-[4-(3-amino-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
CID 53322484
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
4-Methoxy-N-[4-(3-nitro-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10430530
4-(4-(2-Methoxyphenyl)thiazol-2-ylamino)phenol
CID 25100440
N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 71478212
1-(4-(3-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 929876
4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 2056391
4-{[1,1'-biphenyl]-4-yl}-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 2303545
Cambridge id 5934061
CID 2877505

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide (CID 16681989) is N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide is Br.COc1ccccc1Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is USOGSGIFDQNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S.BrH/c1-22-15-8-3-2-7-13(15)17-16-18-14(10-23-16)11-5-4-6-12(9-11)19(20)21;/h2-10H,1H3,(H,17,18);1H.
What are the key properties of N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 408.28 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 16681989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).