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

C15H20N2S — CID 82431617

IUPACN-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(-c2ccc(C)cc2)sc1CNC
InChIInChI=1S/C15H20N2S/c1-4-5-13-14(10-16-3)18-15(17-13)12-8-6-11(2)7-9-12/h6-9,16H,4-5,10H2,1-3H3
InChIKeyKAUNTUHZOIGZLF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.79
Rot. Bonds5

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

N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82431617) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID82431617
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(-c2ccc(C)cc2)sc1CNC
InChIInChI=1S/C15H20N2S/c1-4-5-13-14(10-16-3)18-15(17-13)12-8-6-11(2)7-9-12/h6-9,16H,4-5,10H2,1-3H3
InChIKeyKAUNTUHZOIGZLF-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 82431617) is N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(-c2ccc(C)cc2)sc1CNC.
What is the InChIKey of N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is KAUNTUHZOIGZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-5-13-14(10-16-3)18-15(17-13)12-8-6-11(2)7-9-12/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82431617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).