5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine

C6H13N3S — CID 79510691

IUPAC5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCSCCC1CN=C(N)N1
InChIInChI=1S/C6H13N3S/c1-10-3-2-5-4-8-6(7)9-5/h5H,2-4H2,1H3,(H3,7,8,9)
InChIKeyPBEUQMFMVNADDR-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.03
Rot. Bonds3

About 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine

5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 79510691) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID79510691
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCSCCC1CN=C(N)N1
InChIInChI=1S/C6H13N3S/c1-10-3-2-5-4-8-6(7)9-5/h5H,2-4H2,1H3,(H3,7,8,9)
InChIKeyPBEUQMFMVNADDR-UHFFFAOYSA-N
XLogP0.03
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 70319974
5-but-3-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143527
(5S)-5-(2-methylsulfanylethyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 139016860
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510463
5-oct-7-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143467
5-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89143529
4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
CID 79960449
(4S)-4-(2-methylsulfanylethyl)-1,3-thiazolidine-2-thione
CID 139704325
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
2-methylsulfanylethylcyclopropane
CID 23403340
5-[2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)ethylsulfanyl]-2-hydroxy-1a,7b-dihydro-1H-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
CID 176816412
carbonic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 159919464

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 79510691) is 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine is CSCCC1CN=C(N)N1.
What is the InChIKey of 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PBEUQMFMVNADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c1-10-3-2-5-4-8-6(7)9-5/h5H,2-4H2,1H3,(H3,7,8,9).
What are the key properties of 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine?
5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 159.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 79510691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).