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

C13H16N2S — CID 78992547

IUPAC3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N2S/c1-9-4-5-12(6-10(9)2)14-7-13-15-11(3)8-16-13/h4-6,8,14H,7H2,1-3H3
InChIKeyATWKLSZROJRJGS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.68
Rot. Bonds3

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

3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 78992547) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID78992547
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N2S/c1-9-4-5-12(6-10(9)2)14-7-13-15-11(3)8-16-13/h4-6,8,14H,7H2,1-3H3
InChIKeyATWKLSZROJRJGS-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 79017133
2-amino-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 113323900
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743550
N-[2-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633701
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
CID 115748558
1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749079
1-(3,4-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119117852

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 78992547) is 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is Cc1csc(CNc2ccc(C)c(C)c2)n1.
What is the InChIKey of 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is ATWKLSZROJRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-5-12(6-10(9)2)14-7-13-15-11(3)8-16-13/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 78992547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).