N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine

C17H24N2S — CID 61193442

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCc1nc(C)c(C(C)NC(c2ccccc2)C(C)C)s1
InChIInChI=1S/C17H24N2S/c1-11(2)16(15-9-7-6-8-10-15)19-13(4)17-12(3)18-14(5)20-17/h6-11,13,16,19H,1-5H3
InChIKeySMPHWZPBGMGKED-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.81
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 61193442) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID61193442
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
SMILESCc1nc(C)c(C(C)NC(c2ccccc2)C(C)C)s1
InChIInChI=1S/C17H24N2S/c1-11(2)16(15-9-7-6-8-10-15)19-13(4)17-12(3)18-14(5)20-17/h6-11,13,16,19H,1-5H3
InChIKeySMPHWZPBGMGKED-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 132085809
2-Methyl-4,5-diphenylthiazole
CID 77365
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
4-Phenyl-2-thiazoleethanamine
CID 1497794
US11608337, Example 32
CID 132085789
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
5-({[(Cyclohexylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581915
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581920
5-({[(Ethylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581921
5-butyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712729
5-(3-methylbutyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712730
5-(2-methylpropyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712731

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine (CID 61193442) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine is Cc1nc(C)c(C(C)NC(c2ccccc2)C(C)C)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is SMPHWZPBGMGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11(2)16(15-9-7-6-8-10-15)19-13(4)17-12(3)18-14(5)20-17/h6-11,13,16,19H,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 61193442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).