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

C18H26N2S — CID 79430702

IUPAC2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
SMILESCc1ccc(C(CNCC(C)C)Cc2cnc(C)s2)cc1
InChIInChI=1S/C18H26N2S/c1-13(2)10-19-11-17(9-18-12-20-15(4)21-18)16-7-5-14(3)6-8-16/h5-8,12-13,17,19H,9-11H2,1-4H3
InChIKeyOUDIETVFAYLIMJ-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.33
Rot. Bonds7

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

2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine (PubChem CID 79430702) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
PubChem CID79430702
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine
SMILESCc1ccc(C(CNCC(C)C)Cc2cnc(C)s2)cc1
InChIInChI=1S/C18H26N2S/c1-13(2)10-19-11-17(9-18-12-20-15(4)21-18)16-7-5-14(3)6-8-16/h5-8,12-13,17,19H,9-11H2,1-4H3
InChIKeyOUDIETVFAYLIMJ-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79430683
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79433340
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-methyl-N-[[5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79793744
2-(4-methylphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644193
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine (CID 79430702) is 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine is Cc1ccc(C(CNCC(C)C)Cc2cnc(C)s2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine?
The InChIKey is OUDIETVFAYLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13(2)10-19-11-17(9-18-12-20-15(4)21-18)16-7-5-14(3)6-8-16/h5-8,12-13,17,19H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine?
2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]propan-1-amine is sourced from PubChem (CID 79430702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).