5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine

C11H11BrN2S — CID 82054770

IUPAC5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(Cc2ccccc2Br)s1
InChIInChI=1S/C11H11BrN2S/c1-13-11-14-7-9(15-11)6-8-4-2-3-5-10(8)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyGTAUHLVPUJMLGR-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.54
Rot. Bonds3

About 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine

5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82054770) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82054770
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(Cc2ccccc2Br)s1
InChIInChI=1S/C11H11BrN2S/c1-13-11-14-7-9(15-11)6-8-4-2-3-5-10(8)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyGTAUHLVPUJMLGR-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62830361
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
2-[[2-[2-[5-[(2-cyanophenyl)methyl]-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-5-yl]methyl]benzonitrile
CID 87353099
2-bromo-2-cyclohepta-1,3,5-trien-1-ylacetaldehyde;5-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 143018423
2-[(2-bromophenyl)methyl]-N-methylaniline
CID 67799221
N-methyl-5-[2-[2-(propylamino)-3-pyridinyl]ethyl]-1,3-thiazol-2-amine
CID 79774349
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62830366
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide
CID 51130187
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 82054770) is 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(Cc2ccccc2Br)s1.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GTAUHLVPUJMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-13-11-14-7-9(15-11)6-8-4-2-3-5-10(8)12/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 283.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82054770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).