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

C13H16N2S — CID 83108247

IUPAC2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine
SMILESCc1ccc(Cc2nc(N)c(C)s2)cc1C
InChIInChI=1S/C13H16N2S/c1-8-4-5-11(6-9(8)2)7-12-15-13(14)10(3)16-12/h4-6H,7,14H2,1-3H3
InChIKeyREEXTRSJLPGBFU-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.24
Rot. Bonds2

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

2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine (PubChem CID 83108247) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine
PubChem CID83108247
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine
SMILESCc1ccc(Cc2nc(N)c(C)s2)cc1C
InChIInChI=1S/C13H16N2S/c1-8-4-5-11(6-9(8)2)7-12-15-13(14)10(3)16-12/h4-6H,7,14H2,1-3H3
InChIKeyREEXTRSJLPGBFU-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

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Related Compounds

4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55130279
2-[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662495
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
CID 83108024
N-[[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62904386
5-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-4-amine
CID 83107325
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163857
2-[(3,4-dimethylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 62900341
2-[(3,4-dimethylphenyl)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476692

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine (CID 83108247) is 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine is Cc1ccc(Cc2nc(N)c(C)s2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
The InChIKey is REEXTRSJLPGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-4-5-11(6-9(8)2)7-12-15-13(14)10(3)16-12/h4-6H,7,14H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine 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-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 83108247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).