2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole

C20H24F2N2OS — CID 174546759

IUPAC2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3CCN(C4CCCC4)CC3)n2)c(F)c1F
InChIInChI=1S/C20H24F2N2OS/c1-25-17-7-6-15(18(21)19(17)22)16-12-26-20(23-16)13-8-10-24(11-9-13)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyWXWYVFRCTJJEOO-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.22
Rot. Bonds4

About 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole

2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole (PubChem CID 174546759) has the molecular formula C20H24F2N2OS and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole
PubChem CID174546759
Molecular FormulaC20H24F2N2OS
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3CCN(C4CCCC4)CC3)n2)c(F)c1F
InChIInChI=1S/C20H24F2N2OS/c1-25-17-7-6-15(18(21)19(17)22)16-12-26-20(23-16)13-8-10-24(11-9-13)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyWXWYVFRCTJJEOO-UHFFFAOYSA-N
XLogP5.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole (CID 174546759) is 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(C3CCN(C4CCCC4)CC3)n2)c(F)c1F.
What is the InChIKey of 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is WXWYVFRCTJJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2OS/c1-25-17-7-6-15(18(21)19(17)22)16-12-26-20(23-16)13-8-10-24(11-9-13)14-4-2-3-5-14/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole?
2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole has a molecular weight of 378.49 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidin-4-yl)-4-(2,3-difluoro-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 174546759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).