[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine

C13H15FN2S — CID 64770528

IUPAC[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1ncc(CN)s1
InChIInChI=1S/C13H15FN2S/c1-13(2,9-3-5-10(14)6-4-9)12-16-8-11(7-15)17-12/h3-6,8H,7,15H2,1-2H3
InChIKeyAERQPMXLEQQCTQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.07
Rot. Bonds3

About [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine

[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 64770528) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID64770528
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1ncc(CN)s1
InChIInChI=1S/C13H15FN2S/c1-13(2,9-3-5-10(14)6-4-9)12-16-8-11(7-15)17-12/h3-6,8H,7,15H2,1-2H3
InChIKeyAERQPMXLEQQCTQ-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine (CID 64770528) is [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine is CC(C)(c1ccc(F)cc1)c1ncc(CN)s1.
What is the InChIKey of [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is AERQPMXLEQQCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-13(2,9-3-5-10(14)6-4-9)12-16-8-11(7-15)17-12/h3-6,8H,7,15H2,1-2H3.
What are the key properties of [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine?
[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 64770528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).