2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline

C13H16N2S — CID 82275168

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline
SMILESCc1ccc(Cc2sc(C)nc2C)c(N)c1
InChIInChI=1S/C13H16N2S/c1-8-4-5-11(12(14)6-8)7-13-9(2)15-10(3)16-13/h4-6H,7,14H2,1-3H3
InChIKeyQVCCCBQEQSKWNR-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.24
Rot. Bonds2

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline (PubChem CID 82275168) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline
PubChem CID82275168
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline
SMILESCc1ccc(Cc2sc(C)nc2C)c(N)c1
InChIInChI=1S/C13H16N2S/c1-8-4-5-11(12(14)6-8)7-13-9(2)15-10(3)16-13/h4-6H,7,14H2,1-3H3
InChIKeyQVCCCBQEQSKWNR-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.24
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

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline
CID 82275172
5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637240
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 154404014
2-(chloromethyl)-5-methylaniline
CID 91883475
2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
CID 141256981
5-methyl-2-(phenanthren-9-ylmethyl)aniline
CID 154946620
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-nitroaniline
CID 112698368
1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82301236
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
5-methyl-2-prop-2-enylaniline
CID 45078970
4-ethyl-5-[(2-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62065561

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline (CID 82275168) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline is Cc1ccc(Cc2sc(C)nc2C)c(N)c1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline?
The InChIKey is QVCCCBQEQSKWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-4-5-11(12(14)6-8)7-13-9(2)15-10(3)16-13/h4-6H,7,14H2,1-3H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline has a molecular weight of 232.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylaniline is sourced from PubChem (CID 82275168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).