5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C17H17FN4S — CID 52948967

IUPAC5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3F)nc(C)n2)s1
InChIInChI=1S/C17H17FN4S/c1-3-8-19-17-20-10-16(23-17)15-9-14(21-11(2)22-15)12-6-4-5-7-13(12)18/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)
InChIKeyVLDIADAEDWRTJK-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.54
Rot. Bonds5

About 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52948967) has the molecular formula C17H17FN4S and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID52948967
Molecular FormulaC17H17FN4S
Molecular Weight328.42 g/mol
Exact Mass328.12
IUPAC Name5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3F)nc(C)n2)s1
InChIInChI=1S/C17H17FN4S/c1-3-8-19-17-20-10-16(23-17)15-9-14(21-11(2)22-15)12-6-4-5-7-13(12)18/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)
InChIKeyVLDIADAEDWRTJK-UHFFFAOYSA-N
XLogP4.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52948967) is 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccccc3F)nc(C)n2)s1.
What is the InChIKey of 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VLDIADAEDWRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4S/c1-3-8-19-17-20-10-16(23-17)15-9-14(21-11(2)22-15)12-6-4-5-7-13(12)18/h4-7,9-10H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 328.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52948967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).