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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 25025505
CID 25025505
CID 9968856
CID 9968856
CID 25024141
CID 25024141
CID 71060924
CID 71060924
CID 156017361
CID 156017361
CID 156020541
CID 156020541
CID 156021712
CID 156021712
CID 2380862
CID 2380862
CID 145955270
CID 145955270
CID 145956823
CID 145956823
CID 145958932
CID 145958932
CID 145962929
CID 145962929

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).