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

C22H24N8OS — CID 25024318

IUPAC2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(N2CCC(c3nc(COc4cccc(-n5cnnn5)c4)cs3)CC2)nc1
InChIInChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-8-6-17(7-9-29)21-26-18(14-32-21)13-31-20-5-3-4-19(10-20)30-15-25-27-28-30/h3-5,10-12,14-15,17H,2,6-9,13H2,1H3
InChIKeyYBPRMRPWUOGWQY-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.43
Rot. Bonds7

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

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 25024318) has the molecular formula C22H24N8OS and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID25024318
Molecular FormulaC22H24N8OS
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(N2CCC(c3nc(COc4cccc(-n5cnnn5)c4)cs3)CC2)nc1
InChIInChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-8-6-17(7-9-29)21-26-18(14-32-21)13-31-20-5-3-4-19(10-20)30-15-25-27-28-30/h3-5,10-12,14-15,17H,2,6-9,13H2,1H3
InChIKeyYBPRMRPWUOGWQY-UHFFFAOYSA-N
XLogP3.43
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole;hydrobromide
CID 51347381
ethanesulfonic acid;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 51347382
2-[1-(5-pentylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 25025906
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 58317510
2-[1-(4,5-dichloropyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 25025701
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]-1,3-thiazole
CID 25024519
1-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3-fluorophenyl]-N-methylmethanimine
CID 142418782
4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol
CID 162008848
1-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3-methylphenyl]-N-methylmethanimine oxide
CID 142418739
N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 25025310
2-[1-(3,3-dimethylbutyl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 154460364
methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
CID 25025307

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 25024318) is 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is CCc1cnc(N2CCC(c3nc(COc4cccc(-n5cnnn5)c4)cs3)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is YBPRMRPWUOGWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-8-6-17(7-9-29)21-26-18(14-32-21)13-31-20-5-3-4-19(10-20)30-15-25-27-28-30/h3-5,10-12,14-15,17H,2,6-9,13H2,1H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 448.56 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[3-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 25024318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).