4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide

C10H8Br2N2O2S — CID 2776589

IUPAC4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide
SMILESBr.Cc1nc(-c2ccc(Br)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C10H7BrN2O2S.BrH/c1-6-12-9(5-16-6)7-2-3-8(11)10(4-7)13(14)15;/h2-5H,1H3;1H
InChIKeyBZCACJNXYAKJNT-UHFFFAOYSA-N
MW380.06 g/mol
LogP4.37
Rot. Bonds2

About 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide

4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide (PubChem CID 2776589) has the molecular formula C10H8Br2N2O2S and a molecular weight of 380.06 g/mol. Its IUPAC name is 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide
PubChem CID2776589
Molecular FormulaC10H8Br2N2O2S
Molecular Weight380.06 g/mol
Exact Mass377.87
IUPAC Name4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide
SMILESBr.Cc1nc(-c2ccc(Br)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C10H7BrN2O2S.BrH/c1-6-12-9(5-16-6)7-2-3-8(11)10(4-7)13(14)15;/h2-5H,1H3;1H
InChIKeyBZCACJNXYAKJNT-UHFFFAOYSA-N
XLogP4.37
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.06
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-3-nitrophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19096613
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 108727304
4-(4-bromo-3-isothiocyanatophenyl)-2-methyl-1,3-thiazole
CID 154086654
1-bromo-4-(4-bromophenyl)-2-nitrobenzene
CID 58316117
4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole
CID 10988876
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
CID 114059915
4-bromo-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 16797086
3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62667234
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172
1-bromo-4-[4-[[4-(4-bromo-3-nitrophenyl)phenyl]methyl]phenyl]-2-nitrobenzene
CID 57260820

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide (CID 2776589) is 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide is Br.Cc1nc(-c2ccc(Br)c([N+](=O)[O-])c2)cs1.
What is the InChIKey of 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide?
The InChIKey is BZCACJNXYAKJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2S.BrH/c1-6-12-9(5-16-6)7-2-3-8(11)10(4-7)13(14)15;/h2-5H,1H3;1H.
What are the key properties of 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide?
4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide has a molecular weight of 380.06 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-nitrophenyl)-2-methyl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 2776589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).