1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine

C15H20N2S — CID 82090309

IUPAC1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C15H20N2S/c1-10-5-6-13(7-11(10)2)14-9-18-15(17-14)8-12(3)16-4/h5-7,9,12,16H,8H2,1-4H3
InChIKeyGLKRJICAYAFPBC-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine

1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (PubChem CID 82090309) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
PubChem CID82090309
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C15H20N2S/c1-10-5-6-13(7-11(10)2)14-9-18-15(17-14)8-12(3)16-4/h5-7,9,12,16H,8H2,1-4H3
InChIKeyGLKRJICAYAFPBC-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62924128
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866782
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 63379443
3-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylamino]propanoic acid
CID 82102974
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119677142
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine (CID 82090309) is 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1nc(-c2ccc(C)c(C)c2)cs1.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is GLKRJICAYAFPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-6-13(7-11(10)2)14-9-18-15(17-14)8-12(3)16-4/h5-7,9,12,16H,8H2,1-4H3.
What are the key properties of 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine?
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 82090309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).