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

C13H15FN2S — CID 112677187

IUPAC2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1sc(C(C)(C)N)nc1-c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-8-11(9-6-4-5-7-10(9)14)16-12(17-8)13(2,3)15/h4-7H,15H2,1-3H3
InChIKeyOZEOZHVJDUKWJV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.45
Rot. Bonds2

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

2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 112677187) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine
PubChem CID112677187
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1sc(C(C)(C)N)nc1-c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-8-11(9-6-4-5-7-10(9)14)16-12(17-8)13(2,3)15/h4-7H,15H2,1-3H3
InChIKeyOZEOZHVJDUKWJV-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine (CID 112677187) is 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine is Cc1sc(C(C)(C)N)nc1-c1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is OZEOZHVJDUKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8-11(9-6-4-5-7-10(9)14)16-12(17-8)13(2,3)15/h4-7H,15H2,1-3H3.
What are the key properties of 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine?
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 112677187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).