N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C17H24N2OS — CID 71878385

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C17H24N2OS/c1-12(2)10-20-16-7-5-15(6-8-16)9-18-14(4)17-19-13(3)11-21-17/h5-8,11-12,14,18H,9-10H2,1-4H3
InChIKeyYHCUWVPBPCVCGS-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.34
Rot. Bonds7

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

N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 71878385) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID71878385
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C17H24N2OS/c1-12(2)10-20-16-7-5-15(6-8-16)9-18-14(4)17-19-13(3)11-21-17/h5-8,11-12,14,18H,9-10H2,1-4H3
InChIKeyYHCUWVPBPCVCGS-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine 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-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 71878385) is N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCc2ccc(OCC(C)C)cc2)n1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is YHCUWVPBPCVCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(2)10-20-16-7-5-15(6-8-16)9-18-14(4)17-19-13(3)11-21-17/h5-8,11-12,14,18H,9-10H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 71878385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).