5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine

C10H11N3S — CID 66202105

IUPAC5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
SMILESCSc1ccc(-c2cnc(N)[nH]2)cc1
InChIInChI=1S/C10H11N3S/c1-14-8-4-2-7(3-5-8)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13)
InChIKeySMRSQTRONCEYNT-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.38
Rot. Bonds2

About 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine

5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine (PubChem CID 66202105) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
PubChem CID66202105
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
SMILESCSc1ccc(-c2cnc(N)[nH]2)cc1
InChIInChI=1S/C10H11N3S/c1-14-8-4-2-7(3-5-8)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13)
InChIKeySMRSQTRONCEYNT-UHFFFAOYSA-N
XLogP2.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
CID 102970539
[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879210
1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880689
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640
copper(1+);5-phenyl-1H-imidazol-2-amine;iodide
CID 175039174
3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 116877001
bis(5-(4-bromophenyl)-1H-imidazol-2-amine);sulfuric acid
CID 121229057
4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
CID 69483664
5-(4-phenoxyphenyl)-1H-imidazol-2-amine
CID 82297784
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 20561075

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine (CID 66202105) is 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine is CSc1ccc(-c2cnc(N)[nH]2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine?
The InChIKey is SMRSQTRONCEYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-14-8-4-2-7(3-5-8)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13).
What are the key properties of 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine?
5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine has a molecular weight of 205.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 66202105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).