2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

C22H23N5O2S — CID 159307720

IUPAC2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCCCC1
InChIInChI=1S/C22H23N5O2S/c1-14-23-11-16(12-24-14)18-13-25-22-27(18)26-21(30-22)15-8-9-19(20(10-15)28-2)29-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3
InChIKeyIDLNTMGLRXJCLN-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 159307720) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID159307720
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCCCC1
InChIInChI=1S/C22H23N5O2S/c1-14-23-11-16(12-24-14)18-13-25-22-27(18)26-21(30-22)15-8-9-19(20(10-15)28-2)29-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3
InChIKeyIDLNTMGLRXJCLN-UHFFFAOYSA-N
XLogP4.94
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 159307720) is 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(-c2nn3c(-c4cnc(C)nc4)cnc3s2)ccc1OC1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is IDLNTMGLRXJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14-23-11-16(12-24-14)18-13-25-22-27(18)26-21(30-22)15-8-9-19(20(10-15)28-2)29-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3.
What are the key properties of 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 421.53 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxy-3-methoxyphenyl)-5-(2-methylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 159307720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).