(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine

C13H20N4S — CID 164633880

IUPAC(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCCc1nccn1C[C@H](C)NCc1csc(C)n1
InChIInChI=1S/C13H20N4S/c1-4-13-14-5-6-17(13)8-10(2)15-7-12-9-18-11(3)16-12/h5-6,9-10,15H,4,7-8H2,1-3H3/t10-/m0/s1
InChIKeyCLFIUMYACIFJFN-JTQLQIEISA-N
MW264.40 g/mol
LogP2.39
Rot. Bonds6

About (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine

(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 164633880) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID164633880
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCCc1nccn1C[C@H](C)NCc1csc(C)n1
InChIInChI=1S/C13H20N4S/c1-4-13-14-5-6-17(13)8-10(2)15-7-12-9-18-11(3)16-12/h5-6,9-10,15H,4,7-8H2,1-3H3/t10-/m0/s1
InChIKeyCLFIUMYACIFJFN-JTQLQIEISA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-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 (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 164633880) is (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is CCc1nccn1C[C@H](C)NCc1csc(C)n1.
What is the InChIKey of (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is CLFIUMYACIFJFN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-13-14-5-6-17(13)8-10(2)15-7-12-9-18-11(3)16-12/h5-6,9-10,15H,4,7-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
(2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 164633880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).