2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C22H20N4S — CID 50954542

IUPAC2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1ccc(-c2ncn(CCc3nc4c(s3)CCC4)c2-c2ccncc2)cc1
InChIInChI=1S/C22H20N4S/c1-2-5-16(6-3-1)21-22(17-9-12-23-13-10-17)26(15-24-21)14-11-20-25-18-7-4-8-19(18)27-20/h1-3,5-6,9-10,12-13,15H,4,7-8,11,14H2
InChIKeyCEUVHLHGFDFSIU-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.80
Rot. Bonds5

About 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 50954542) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID50954542
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1ccc(-c2ncn(CCc3nc4c(s3)CCC4)c2-c2ccncc2)cc1
InChIInChI=1S/C22H20N4S/c1-2-5-16(6-3-1)21-22(17-9-12-23-13-10-17)26(15-24-21)14-11-20-25-18-7-4-8-19(18)27-20/h1-3,5-6,9-10,12-13,15H,4,7-8,11,14H2
InChIKeyCEUVHLHGFDFSIU-UHFFFAOYSA-N
XLogP4.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 50954542) is 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is c1ccc(-c2ncn(CCc3nc4c(s3)CCC4)c2-c2ccncc2)cc1.
What is the InChIKey of 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is CEUVHLHGFDFSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-2-5-16(6-3-1)21-22(17-9-12-23-13-10-17)26(15-24-21)14-11-20-25-18-7-4-8-19(18)27-20/h1-3,5-6,9-10,12-13,15H,4,7-8,11,14H2.
What are the key properties of 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 372.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 50954542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).