5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

C12H13BrN2S — CID 43637240

IUPAC5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C)c(Br)c1
InChIInChI=1S/C12H13BrN2S/c1-7-3-4-9(10(13)5-7)6-11-8(2)15-12(14)16-11/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyQNYSHEBODJLEDI-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.70
Rot. Bonds2

About 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43637240) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43637240
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C)c(Br)c1
InChIInChI=1S/C12H13BrN2S/c1-7-3-4-9(10(13)5-7)6-11-8(2)15-12(14)16-11/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyQNYSHEBODJLEDI-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 103416442
5-[(2-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 82766257
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline
CID 82275168
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 86811771
4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62065561
5-[(2-chloro-4-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 62065914
N-[[2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114015458
5-[(2-bromo-4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81275594
4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine
CID 43637194
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
4-[(2-amino-4-ethyl-1,3-thiazol-5-yl)methyl]-3-bromobenzonitrile
CID 114002062

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 43637240) is 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1ccc(Cc2sc(N)nc2C)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QNYSHEBODJLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-7-3-4-9(10(13)5-7)6-11-8(2)15-12(14)16-11/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 297.22 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43637240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).