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

C17H24N2S — CID 115979445

IUPAC2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
SMILESCc1ccccc1C(CNC(C)(C)C)Cc1cncs1
InChIInChI=1S/C17H24N2S/c1-13-7-5-6-8-16(13)14(10-19-17(2,3)4)9-15-11-18-12-20-15/h5-8,11-12,14,19H,9-10H2,1-4H3
InChIKeyWEBIDSQUBCUVHJ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.17
Rot. Bonds5

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

2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine (PubChem CID 115979445) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
PubChem CID115979445
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
SMILESCc1ccccc1C(CNC(C)(C)C)Cc1cncs1
InChIInChI=1S/C17H24N2S/c1-13-7-5-6-8-16(13)14(10-19-17(2,3)4)9-15-11-18-12-20-15/h5-8,11-12,14,19H,9-10H2,1-4H3
InChIKeyWEBIDSQUBCUVHJ-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979447
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine (CID 115979445) is 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine is Cc1ccccc1C(CNC(C)(C)C)Cc1cncs1.
What is the InChIKey of 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
The InChIKey is WEBIDSQUBCUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13-7-5-6-8-16(13)14(10-19-17(2,3)4)9-15-11-18-12-20-15/h5-8,11-12,14,19H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine is sourced from PubChem (CID 115979445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).