2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole

C20H21FN4S — CID 92553706

IUPAC2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H21FN4S/c1-14-12-18(20-22-8-11-26-20)24-19(23-14)16-6-9-25(10-7-16)13-15-2-4-17(21)5-3-15/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3
InChIKeyKSHCNKCGRROBKZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.43
Rot. Bonds4

About 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole

2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole (PubChem CID 92553706) has the molecular formula C20H21FN4S and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
PubChem CID92553706
Molecular FormulaC20H21FN4S
Molecular Weight368.48 g/mol
Exact Mass368.15
IUPAC Name2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H21FN4S/c1-14-12-18(20-22-8-11-26-20)24-19(23-14)16-6-9-25(10-7-16)13-15-2-4-17(21)5-3-15/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3
InChIKeyKSHCNKCGRROBKZ-UHFFFAOYSA-N
XLogP4.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole (CID 92553706) is 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole is Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
The InChIKey is KSHCNKCGRROBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4S/c1-14-12-18(20-22-8-11-26-20)24-19(23-14)16-6-9-25(10-7-16)13-15-2-4-17(21)5-3-15/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3.
What are the key properties of 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole?
2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole has a molecular weight of 368.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 92553706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).