(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine

C18H26N2OS — CID 51952845

IUPAC(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCCCCc1nc(CN(C)[C@@H](C)c2ccccc2OC)cs1
InChIInChI=1S/C18H26N2OS/c1-5-6-11-18-19-15(13-22-18)12-20(3)14(2)16-9-7-8-10-17(16)21-4/h7-10,13-14H,5-6,11-12H2,1-4H3/t14-/m0/s1
InChIKeyFUYGZGOPSDJVIG-AWEZNQCLSA-N
MW318.49 g/mol
LogP4.69
Rot. Bonds8

About (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine

(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 51952845) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
PubChem CID51952845
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCCCCc1nc(CN(C)[C@@H](C)c2ccccc2OC)cs1
InChIInChI=1S/C18H26N2OS/c1-5-6-11-18-19-15(13-22-18)12-20(3)14(2)16-9-7-8-10-17(16)21-4/h7-10,13-14H,5-6,11-12H2,1-4H3/t14-/m0/s1
InChIKeyFUYGZGOPSDJVIG-AWEZNQCLSA-N
XLogP4.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine 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 (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine (CID 51952845) is (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine is CCCCc1nc(CN(C)[C@@H](C)c2ccccc2OC)cs1.
What is the InChIKey of (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is FUYGZGOPSDJVIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-5-6-11-18-19-15(13-22-18)12-20(3)14(2)16-9-7-8-10-17(16)21-4/h7-10,13-14H,5-6,11-12H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 318.49 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 51952845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).