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

C17H24N2S — CID 115979447

IUPAC2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)Cc2cncs2)c1
InChIInChI=1S/C17H24N2S/c1-13-6-5-7-14(8-13)15(10-19-17(2,3)4)9-16-11-18-12-20-16/h5-8,11-12,15,19H,9-10H2,1-4H3
InChIKeyVLJRIRWYTHHJSZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.17
Rot. Bonds5

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

2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine (PubChem CID 115979447) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
PubChem CID115979447
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
SMILESCc1cccc(C(CNC(C)(C)C)Cc2cncs2)c1
InChIInChI=1S/C17H24N2S/c1-13-6-5-7-14(8-13)15(10-19-17(2,3)4)9-16-11-18-12-20-16/h5-8,11-12,15,19H,9-10H2,1-4H3
InChIKeyVLJRIRWYTHHJSZ-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-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
N-[3-(furan-2-yl)-2-(3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79416841
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
CID 107053332
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine (CID 115979447) is 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine is Cc1cccc(C(CNC(C)(C)C)Cc2cncs2)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
The InChIKey is VLJRIRWYTHHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13-6-5-7-14(8-13)15(10-19-17(2,3)4)9-16-11-18-12-20-16/h5-8,11-12,15,19H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine?
2-methyl-N-[2-(3-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-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine is sourced from PubChem (CID 115979447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).