(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine

C12H15N3S — CID 102970539

IUPAC(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCSc1ccc(-c2cnc([C@H](C)N)[nH]2)cc1
InChIInChI=1S/C12H15N3S/c1-8(13)12-14-7-11(15-12)9-3-5-10(16-2)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyUELHMBVWGDCDPC-QMMMGPOBSA-N
MW233.34 g/mol
LogP2.82
Rot. Bonds3

About (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine

(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 102970539) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID102970539
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCSc1ccc(-c2cnc([C@H](C)N)[nH]2)cc1
InChIInChI=1S/C12H15N3S/c1-8(13)12-14-7-11(15-12)9-3-5-10(16-2)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyUELHMBVWGDCDPC-QMMMGPOBSA-N
XLogP2.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 116877001
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 66202105
[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879210
1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
CID 116876598
N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 143848512
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43649869
1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880689
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544451
2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68886449
tert-butyl N-[[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 102970557

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine (CID 102970539) is (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine is CSc1ccc(-c2cnc([C@H](C)N)[nH]2)cc1.
What is the InChIKey of (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is UELHMBVWGDCDPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(13)12-14-7-11(15-12)9-3-5-10(16-2)6-4-9/h3-8H,13H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine?
(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 102970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).