3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

C12H14N2S — CID 71683836

IUPAC3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1cccc(NCc2nc(C)cs2)c1
InChIInChI=1S/C12H14N2S/c1-9-4-3-5-11(6-9)13-7-12-14-10(2)8-15-12/h3-6,8,13H,7H2,1-2H3
InChIKeyBTOCOXGFDJHSNI-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.37
Rot. Bonds3

About 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 71683836) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID71683836
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1cccc(NCc2nc(C)cs2)c1
InChIInChI=1S/C12H14N2S/c1-9-4-3-5-11(6-9)13-7-12-14-10(2)8-15-12/h3-6,8,13H,7H2,1-2H3
InChIKeyBTOCOXGFDJHSNI-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 71683836) is 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is Cc1cccc(NCc2nc(C)cs2)c1.
What is the InChIKey of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is BTOCOXGFDJHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-4-3-5-11(6-9)13-7-12-14-10(2)8-15-12/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 218.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 71683836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).