N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine

C15H20N2S — CID 64543468

IUPACN-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N2S/c1-10(2)12-5-7-13(8-6-12)15-17-14(9-18-15)11(3)16-4/h5-11,16H,1-4H3
InChIKeySJMWMWQYAZSRGK-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.21
Rot. Bonds4

About N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine

N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64543468) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64543468
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
SMILESCNC(C)c1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N2S/c1-10(2)12-5-7-13(8-6-12)15-17-14(9-18-15)11(3)16-4/h5-11,16H,1-4H3
InChIKeySJMWMWQYAZSRGK-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.21
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-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine (CID 64543468) is N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine is CNC(C)c1csc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is SJMWMWQYAZSRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(2)12-5-7-13(8-6-12)15-17-14(9-18-15)11(3)16-4/h5-11,16H,1-4H3.
What are the key properties of N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.21, 4 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-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64543468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).