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

C11H12FN3S — CID 63674003

IUPAC[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
SMILESCn1ccnc1Sc1ccc(F)cc1CN
InChIInChI=1S/C11H12FN3S/c1-15-5-4-14-11(15)16-10-3-2-9(12)6-8(10)7-13/h2-6H,7,13H2,1H3
InChIKeyJPFLBJWLCACPGD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds3

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

[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine (PubChem CID 63674003) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
PubChem CID63674003
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
SMILESCn1ccnc1Sc1ccc(F)cc1CN
InChIInChI=1S/C11H12FN3S/c1-15-5-4-14-11(15)16-10-3-2-9(12)6-8(10)7-13/h2-6H,7,13H2,1H3
InChIKeyJPFLBJWLCACPGD-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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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The IUPAC name of [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine (CID 63674003) is [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine is Cn1ccnc1Sc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
The InChIKey is JPFLBJWLCACPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-15-5-4-14-11(15)16-10-3-2-9(12)6-8(10)7-13/h2-6H,7,13H2,1H3.
What are the key properties of [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine?
[5-fluoro-2-(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 [5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 63674003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).