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

C13H16N2S — CID 62596294

IUPAC[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCc1cc(C)cc(Cc2nc(CN)cs2)c1
InChIInChI=1S/C13H16N2S/c1-9-3-10(2)5-11(4-9)6-13-15-12(7-14)8-16-13/h3-5,8H,6-7,14H2,1-2H3
InChIKeyPZCFELZEVVJSQM-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.81
Rot. Bonds3

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

[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 62596294) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID62596294
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCc1cc(C)cc(Cc2nc(CN)cs2)c1
InChIInChI=1S/C13H16N2S/c1-9-3-10(2)5-11(4-9)6-13-15-12(7-14)8-16-13/h3-5,8H,6-7,14H2,1-2H3
InChIKeyPZCFELZEVVJSQM-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445
N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55096147
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 83969663
2-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62595012
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82090307
[2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361429
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929651

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine (CID 62596294) is [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine is Cc1cc(C)cc(Cc2nc(CN)cs2)c1.
What is the InChIKey of [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is PZCFELZEVVJSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-3-10(2)5-11(4-9)6-13-15-12(7-14)8-16-13/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 232.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 62596294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).