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

C23H26N8OS — CID 25026103

IUPAC2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C23H26N8OS/c1-2-3-17-12-24-23(25-13-17)30-10-8-18(9-11-30)22-27-19(15-33-22)14-32-21-6-4-20(5-7-21)31-16-26-28-29-31/h4-7,12-13,15-16,18H,2-3,8-11,14H2,1H3
InChIKeyULLYQYFETNABKI-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.82
Rot. Bonds8

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

2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 25026103) has the molecular formula C23H26N8OS and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID25026103
Molecular FormulaC23H26N8OS
Molecular Weight462.58 g/mol
Exact Mass462.20
IUPAC Name2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C23H26N8OS/c1-2-3-17-12-24-23(25-13-17)30-10-8-18(9-11-30)22-27-19(15-33-22)14-32-21-6-4-20(5-7-21)31-16-26-28-29-31/h4-7,12-13,15-16,18H,2-3,8-11,14H2,1H3
InChIKeyULLYQYFETNABKI-UHFFFAOYSA-N
XLogP3.82
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 25026103) is 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is CCCc1cnc(N2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.
What is the InChIKey of 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is ULLYQYFETNABKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8OS/c1-2-3-17-12-24-23(25-13-17)30-10-8-18(9-11-30)22-27-19(15-33-22)14-32-21-6-4-20(5-7-21)31-16-26-28-29-31/h4-7,12-13,15-16,18H,2-3,8-11,14H2,1H3.
What are the key properties of 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 462.58 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 25026103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).