6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine

C13H11FN2S — CID 82372935

IUPAC6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine
SMILESCc1csc2cc(-c3ccc(F)cc3)c(N)n12
InChIInChI=1S/C13H11FN2S/c1-8-7-17-12-6-11(13(15)16(8)12)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyFLKXQVTVWAQQGE-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.70
Rot. Bonds1

About 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine

6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine (PubChem CID 82372935) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine
PubChem CID82372935
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine
SMILESCc1csc2cc(-c3ccc(F)cc3)c(N)n12
InChIInChI=1S/C13H11FN2S/c1-8-7-17-12-6-11(13(15)16(8)12)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyFLKXQVTVWAQQGE-UHFFFAOYSA-N
XLogP3.70
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine (CID 82372935) is 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine is Cc1csc2cc(-c3ccc(F)cc3)c(N)n12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is FLKXQVTVWAQQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c1-8-7-17-12-6-11(13(15)16(8)12)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine?
6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methylpyrrolo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82372935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).