5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline

C10H11N3S — CID 107779352

IUPAC5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
SMILESCc1ccc(Sc2ncc[nH]2)cc1N
InChIInChI=1S/C10H11N3S/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeySJXULWVSPPRVNU-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.45
Rot. Bonds2

About 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline

5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline (PubChem CID 107779352) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
PubChem CID107779352
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
SMILESCc1ccc(Sc2ncc[nH]2)cc1N
InChIInChI=1S/C10H11N3S/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeySJXULWVSPPRVNU-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1H-imidazol-2-ylsulfanyl)benzene-1,2-diamine
CID 21482783
4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde
CID 107782964
[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol
CID 107783398
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine
CID 107780968
1-[2-chloro-4-(1H-imidazol-2-ylsulfanyl)phenyl]ethanone
CID 107780510
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257
1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 107783602
4-(1H-imidazol-2-ylsulfanyl)benzaldehyde
CID 107782974
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417
4-chloro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779420
2-methyl-5-methylsulfanylaniline
CID 62911126
(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 107783424

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline?
The IUPAC name of 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline (CID 107779352) is 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline.
What is the SMILES notation for 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline?
The canonical SMILES for 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline is Cc1ccc(Sc2ncc[nH]2)cc1N.
What is the InChIKey of 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline?
The InChIKey is SJXULWVSPPRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-2-3-8(6-9(7)11)14-10-12-4-5-13-10/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline?
5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline has a molecular weight of 205.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline is sourced from PubChem (CID 107779352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).