5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine

C11H13N3S — CID 106555444

IUPAC5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
SMILESCSc1cccc(Nc2ncc(C)[nH]2)c1
InChIInChI=1S/C11H13N3S/c1-8-7-12-11(13-8)14-9-4-3-5-10(6-9)15-2/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyPKMKUGCYAZLUDP-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.18
Rot. Bonds3

About 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine

5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine (PubChem CID 106555444) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
PubChem CID106555444
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
SMILESCSc1cccc(Nc2ncc(C)[nH]2)c1
InChIInChI=1S/C11H13N3S/c1-8-7-12-11(13-8)14-9-4-3-5-10(6-9)15-2/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyPKMKUGCYAZLUDP-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 106558727
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
CID 136779338
N-(2,6-dimethylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559790
N-(3-methylsulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 59506846
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80769102
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine (CID 106555444) is 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine is CSc1cccc(Nc2ncc(C)[nH]2)c1.
What is the InChIKey of 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine?
The InChIKey is PKMKUGCYAZLUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-7-12-11(13-8)14-9-4-3-5-10(6-9)15-2/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine?
5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106555444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).