1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine

C17H24N2S — CID 105019818

IUPAC1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1nc(C)c(C)s1)Cc1cc(C)ccc1C
InChIInChI=1S/C17H24N2S/c1-11-6-7-12(2)15(8-11)9-16(18-5)10-17-19-13(3)14(4)20-17/h6-8,16,18H,9-10H2,1-5H3
InChIKeyJNNRLXPIZSLMJY-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine

1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine (PubChem CID 105019818) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
PubChem CID105019818
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1nc(C)c(C)s1)Cc1cc(C)ccc1C
InChIInChI=1S/C17H24N2S/c1-11-6-7-12(2)15(8-11)9-16(18-5)10-17-19-13(3)14(4)20-17/h6-8,16,18H,9-10H2,1-5H3
InChIKeyJNNRLXPIZSLMJY-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019919
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
CID 114977590
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 63420181
1-(2,5-dimethylphenyl)-3-(1H-imidazol-2-yl)-N-methylpropan-2-amine
CID 62538180
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
CID 112754817
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine (CID 105019818) is 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine is CNC(Cc1nc(C)c(C)s1)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is JNNRLXPIZSLMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11-6-7-12(2)15(8-11)9-16(18-5)10-17-19-13(3)14(4)20-17/h6-8,16,18H,9-10H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine?
1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105019818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).