[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine

C12H15N3S — CID 107931425

IUPAC[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2nccn2C)c(CN)c1
InChIInChI=1S/C12H15N3S/c1-9-3-4-11(10(7-9)8-13)16-12-14-5-6-15(12)2/h3-7H,8,13H2,1-2H3
InChIKeyDWMLWRJCIRPYJO-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.34
Rot. Bonds3

About [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine

[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine (PubChem CID 107931425) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
PubChem CID107931425
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2nccn2C)c(CN)c1
InChIInChI=1S/C12H15N3S/c1-9-3-4-11(10(7-9)8-13)16-12-14-5-6-15(12)2/h3-7H,8,13H2,1-2H3
InChIKeyDWMLWRJCIRPYJO-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 63674003
[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 43657627
N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 114017362
[2-bromo-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107280501
[5-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methanamine
CID 107931468
(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 107931477
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
N-[[5-bromo-2-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 114062031
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
2-(2-chloro-4-iodophenyl)sulfanyl-1-methylimidazole
CID 15077509

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The IUPAC name of [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine (CID 107931425) is [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine is Cc1ccc(Sc2nccn2C)c(CN)c1.
What is the InChIKey of [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The InChIKey is DWMLWRJCIRPYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-4-11(10(7-9)8-13)16-12-14-5-6-15(12)2/h3-7H,8,13H2,1-2H3.
What are the key properties of [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 107931425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).