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

C15H20N2S — CID 129403225

IUPAC(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine
SMILESCc1cnc(CCNC[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-12(14-6-4-3-5-7-14)10-16-9-8-15-17-11-13(2)18-15/h3-7,11-12,16H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyZCMSROXDPXDXKM-LBPRGKRZSA-N
MW260.41 g/mol
LogP3.39
Rot. Bonds6

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

(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine (PubChem CID 129403225) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine
PubChem CID129403225
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine
SMILESCc1cnc(CCNC[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-12(14-6-4-3-5-7-14)10-16-9-8-15-17-11-13(2)18-15/h3-7,11-12,16H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyZCMSROXDPXDXKM-LBPRGKRZSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-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 (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine (CID 129403225) is (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine is Cc1cnc(CCNC[C@H](C)c2ccccc2)s1.
What is the InChIKey of (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is ZCMSROXDPXDXKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(14-6-4-3-5-7-14)10-16-9-8-15-17-11-13(2)18-15/h3-7,11-12,16H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine?
(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 129403225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).