2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

C20H19FN8OS — CID 25025506

IUPAC2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESFc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C20H19FN8OS/c21-15-9-22-20(23-10-15)28-7-5-14(6-8-28)19-25-16(12-31-19)11-30-18-3-1-17(2-4-18)29-13-24-26-27-29/h1-4,9-10,12-14H,5-8,11H2
InChIKeyWUNFZJZXVKSJKB-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 25025506) has the molecular formula C20H19FN8OS and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID25025506
Molecular FormulaC20H19FN8OS
Molecular Weight438.49 g/mol
Exact Mass438.14
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESFc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C20H19FN8OS/c21-15-9-22-20(23-10-15)28-7-5-14(6-8-28)19-25-16(12-31-19)11-30-18-3-1-17(2-4-18)29-13-24-26-27-29/h1-4,9-10,12-14H,5-8,11H2
InChIKeyWUNFZJZXVKSJKB-UHFFFAOYSA-N
XLogP3.01
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 25025506) is 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is Fc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is WUNFZJZXVKSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8OS/c21-15-9-22-20(23-10-15)28-7-5-14(6-8-28)19-25-16(12-31-19)11-30-18-3-1-17(2-4-18)29-13-24-26-27-29/h1-4,9-10,12-14H,5-8,11H2.
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 438.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 25025506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).