(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

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53498805
4-Methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 56778657
N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
N-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71986332
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71990205
4-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 71683819
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 72847349
4-(1H-Imidazol-2-YL)-thiazole
CID 17942300
N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 86774778
N-methyl-4-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1,3-thiazol-2-amine
CID 91829447
4-{[Cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl}-N-methyl-1,3-thiazol-2-amine
CID 91836656
2-{[(1-methyl-1H-imidazol-2-yl)methyl][(2-methyl-1,3-thiazol-4-yl)methyl]amino}ethanol
CID 91842004

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).