[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine

C11H12FN3S — CID 43657627

IUPAC[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
SMILESCn1ccnc1Sc1ccc(CN)cc1F
InChIInChI=1S/C11H12FN3S/c1-15-5-4-14-11(15)16-10-3-2-8(7-13)6-9(10)12/h2-6H,7,13H2,1H3
InChIKeyZPUSBZIJTKBVJP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds3

About [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine

[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine (PubChem CID 43657627) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
PubChem CID43657627
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
SMILESCn1ccnc1Sc1ccc(CN)cc1F
InChIInChI=1S/C11H12FN3S/c1-15-5-4-14-11(15)16-10-3-2-8(7-13)6-9(10)12/h2-6H,7,13H2,1H3
InChIKeyZPUSBZIJTKBVJP-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
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
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 43530165
5-fluoro-2-(1-methylimidazol-2-yl)sulfanyl-4-propoxyaniline
CID 63594235
N-[[3,5-difluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805216
4-(difluoromethoxy)-5-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 63592138
2-methyl-N-[[3-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63807138
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
N-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 81159841
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The IUPAC name of [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine (CID 43657627) is [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine is Cn1ccnc1Sc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The InChIKey is ZPUSBZIJTKBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-15-5-4-14-11(15)16-10-3-2-8(7-13)6-9(10)12/h2-6H,7,13H2,1H3.
What are the key properties of [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 43657627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).