2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide

C10H7BrN4O3S — CID 62789270

IUPAC2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cs1
InChIInChI=1S/C10H7BrN4O3S/c11-5-1-2-6(8(3-5)15(17)18)13-9(16)7-4-19-10(12)14-7/h1-4H,(H2,12,14)(H,13,16)
InChIKeyMIHBEAMITWGTLJ-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.65
Rot. Bonds3

About 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62789270) has the molecular formula C10H7BrN4O3S and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62789270
Molecular FormulaC10H7BrN4O3S
Molecular Weight343.16 g/mol
Exact Mass341.94
IUPAC Name2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cs1
InChIInChI=1S/C10H7BrN4O3S/c11-5-1-2-6(8(3-5)15(17)18)13-9(16)7-4-19-10(12)14-7/h1-4H,(H2,12,14)(H,13,16)
InChIKeyMIHBEAMITWGTLJ-UHFFFAOYSA-N
XLogP2.65
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
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

2-amino-N-(4-fluoro-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62787167
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
(4-bromo-2-nitrophenyl)urea
CID 54074030
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 107680867
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 62789270) is 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cs1.
What is the InChIKey of 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MIHBEAMITWGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4O3S/c11-5-1-2-6(8(3-5)15(17)18)13-9(16)7-4-19-10(12)14-7/h1-4H,(H2,12,14)(H,13,16).
What are the key properties of 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).