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

C23H25N7O2S — CID 56848450

IUPAC2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(OC2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C23H25N7O2S/c1-2-16-11-24-23(25-12-16)32-21-7-3-17(4-8-21)22-27-18(14-33-22)13-31-20-9-5-19(6-10-20)30-15-26-28-29-30/h5-6,9-12,14-15,17,21H,2-4,7-8,13H2,1H3
InChIKeyJEWDJJMWIPHCQC-UHFFFAOYSA-N
MW463.57 g/mol
LogP4.16
Rot. Bonds8

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

2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 56848450) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID56848450
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Name2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
SMILESCCc1cnc(OC2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1
InChIInChI=1S/C23H25N7O2S/c1-2-16-11-24-23(25-12-16)32-21-7-3-17(4-8-21)22-27-18(14-33-22)13-31-20-9-5-19(6-10-20)30-15-26-28-29-30/h5-6,9-12,14-15,17,21H,2-4,7-8,13H2,1H3
InChIKeyJEWDJJMWIPHCQC-UHFFFAOYSA-N
XLogP4.16
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole (CID 56848450) is 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is CCc1cnc(OC2CCC(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1.
What is the InChIKey of 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is JEWDJJMWIPHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-2-16-11-24-23(25-12-16)32-21-7-3-17(4-8-21)22-27-18(14-33-22)13-31-20-9-5-19(6-10-20)30-15-26-28-29-30/h5-6,9-12,14-15,17,21H,2-4,7-8,13H2,1H3.
What are the key properties of 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole?
2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 463.57 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylpyrimidin-2-yl)oxycyclohexyl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 56848450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).