5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C11H11BrN2S — CID 82275190

IUPAC5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(Cc2ccc(Br)cc2N)s1
InChIInChI=1S/C11H11BrN2S/c1-7-14-6-10(15-7)4-8-2-3-9(12)5-11(8)13/h2-3,5-6H,4,13H2,1H3
InChIKeyRXNYTNAXKBRHLQ-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.39
Rot. Bonds2

About 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 82275190) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID82275190
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(Cc2ccc(Br)cc2N)s1
InChIInChI=1S/C11H11BrN2S/c1-7-14-6-10(15-7)4-8-2-3-9(12)5-11(8)13/h2-3,5-6H,4,13H2,1H3
InChIKeyRXNYTNAXKBRHLQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-Thiazol-5-yl)aniline
CID 11298271
2-[2-(2-Methylpropyl)-1,3-thiazol-5-yl]-4-(trifluoromethyl)aniline
CID 102291138
2-Fluoro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
CID 102291140
(1S)-1-(4-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 97319640
2-Fluoro-5-(2-methyl-1,3-thiazol-5-yl)aniline
CID 39241968
2-(2-Methyl-thiazol-5-yl)-phenylamine
CID 53429036
5-bromo-N-(1,3-thiazol-4-ylmethyl)-2-(2,2,2-trifluoroethyl)aniline
CID 155439063
2-(1,3-Thiazol-2-ylmethyl)aniline
CID 12725132
4-[2-(2-Methylpropyl)-1,3-thiazol-5-yl]aniline
CID 102291136
2-[2-(2-Methylpropyl)-1,3-thiazol-5-yl]aniline
CID 119085657
4-(2-Propyl-1,3-thiazol-5-yl)aniline
CID 130019457
(4-Bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 82275190) is 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(Cc2ccc(Br)cc2N)s1.
What is the InChIKey of 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is RXNYTNAXKBRHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-14-6-10(15-7)4-8-2-3-9(12)5-11(8)13/h2-3,5-6H,4,13H2,1H3.
What are the key properties of 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 283.19 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 82275190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).