2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine

C14H18N2S — CID 82425850

IUPAC2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1cccc(-c2nc(C)c(C(C)(C)N)s2)c1
InChIInChI=1S/C14H18N2S/c1-9-6-5-7-11(8-9)13-16-10(2)12(17-13)14(3,4)15/h5-8H,15H2,1-4H3
InChIKeyJRXLMMGBZLTUKC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.62
Rot. Bonds2

About 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine

2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82425850) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82425850
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1cccc(-c2nc(C)c(C(C)(C)N)s2)c1
InChIInChI=1S/C14H18N2S/c1-9-6-5-7-11(8-9)13-16-10(2)12(17-13)14(3,4)15/h5-8H,15H2,1-4H3
InChIKeyJRXLMMGBZLTUKC-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82428618
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
2-(3-methylphenyl)-1,3-thiazole-4,5-diol
CID 174799020
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-oxoacetaldehyde
CID 12748654
2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione
CID 13356050
2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884531
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887170
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438558

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82425850) is 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine is Cc1cccc(-c2nc(C)c(C(C)(C)N)s2)c1.
What is the InChIKey of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is JRXLMMGBZLTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-6-5-7-11(8-9)13-16-10(2)12(17-13)14(3,4)15/h5-8H,15H2,1-4H3.
What are the key properties of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82425850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).