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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).