4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole

C19H19FN4S2 — CID 15603904

IUPAC4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
SMILESCSc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(F)c2)n1
InChIInChI=1S/C19H19FN4S2/c1-25-18-21-9-8-15(22-18)17-16(13-6-5-7-14(20)12-13)23-19(26-17)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3
InChIKeyIZHPHZBQTJMUTE-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.12
Rot. Bonds4

About 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole

4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole (PubChem CID 15603904) has the molecular formula C19H19FN4S2 and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
PubChem CID15603904
Molecular FormulaC19H19FN4S2
Molecular Weight386.52 g/mol
Exact Mass386.10
IUPAC Name4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
SMILESCSc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(F)c2)n1
InChIInChI=1S/C19H19FN4S2/c1-25-18-21-9-8-15(22-18)17-16(13-6-5-7-14(20)12-13)23-19(26-17)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3
InChIKeyIZHPHZBQTJMUTE-UHFFFAOYSA-N
XLogP5.12
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole (CID 15603904) is 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole is CSc1nccc(-c2sc(N3CCCCC3)nc2-c2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is IZHPHZBQTJMUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S2/c1-25-18-21-9-8-15(22-18)17-16(13-6-5-7-14(20)12-13)23-19(26-17)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole?
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 386.52 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 15603904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).