4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole

C22H25N5S — CID 166225649

IUPAC4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole
SMILESCCc1csc(C2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)n1
InChIInChI=1S/C22H25N5S/c1-2-17-14-28-22(24-17)15-8-11-27(12-9-15)21-18-6-3-7-19(18)25-20(26-21)16-5-4-10-23-13-16/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3
InChIKeyBVEDXIZMOPANBY-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.43
Rot. Bonds4

About 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole

4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole (PubChem CID 166225649) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole
PubChem CID166225649
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Name4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole
SMILESCCc1csc(C2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)n1
InChIInChI=1S/C22H25N5S/c1-2-17-14-28-22(24-17)15-8-11-27(12-9-15)21-18-6-3-7-19(18)25-20(26-21)16-5-4-10-23-13-16/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3
InChIKeyBVEDXIZMOPANBY-UHFFFAOYSA-N
XLogP4.43
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole (CID 166225649) is 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole is CCc1csc(C2CCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)n1.
What is the InChIKey of 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is BVEDXIZMOPANBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-2-17-14-28-22(24-17)15-8-11-27(12-9-15)21-18-6-3-7-19(18)25-20(26-21)16-5-4-10-23-13-16/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3.
What are the key properties of 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole?
4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 391.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166225649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).