(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine

C13H20N4S — CID 135386337

IUPAC(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCC[C@H]1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C13H20N4S/c1-18-8-5-12-10-16-13(14)17(12)7-4-11-3-2-6-15-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,14,16)/t12-/m0/s1
InChIKeyNZWDXCAJFVMGQK-LBPRGKRZSA-N
MW264.40 g/mol
LogP1.38
Rot. Bonds6

About (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 135386337) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID135386337
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCC[C@H]1CN=C(N)N1CCc1cccnc1
InChIInChI=1S/C13H20N4S/c1-18-8-5-12-10-16-13(14)17(12)7-4-11-3-2-6-15-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,14,16)/t12-/m0/s1
InChIKeyNZWDXCAJFVMGQK-LBPRGKRZSA-N
XLogP1.38
TPSA54.51 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine with MolForge

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Related Compounds

2-[3-[2-amino-3-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-4-yl]propyl]guanidine
CID 146623914
2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3477965
3-cyclopropyl-3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963504
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712043
5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
CID 79542579
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine
CID 79520544

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine (CID 135386337) is (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is CSCC[C@H]1CN=C(N)N1CCc1cccnc1.
What is the InChIKey of (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NZWDXCAJFVMGQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N4S/c1-18-8-5-12-10-16-13(14)17(12)7-4-11-3-2-6-15-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H2,14,16)/t12-/m0/s1.
What are the key properties of (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 264.40 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135386337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).