2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole

C19H23N5S — CID 167462161

IUPAC2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole
SMILESc1csc(-c2cn(C3CCC(C4CCCNC4)C3)c3ncncc23)n1
InChIInChI=1S/C19H23N5S/c1-2-14(9-20-5-1)13-3-4-15(8-13)24-11-17(19-22-6-7-25-19)16-10-21-12-23-18(16)24/h6-7,10-15,20H,1-5,8-9H2
InChIKeyPZWJRKVBZBUEEL-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.90
Rot. Bonds3

About 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole

2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole (PubChem CID 167462161) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole
PubChem CID167462161
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole
SMILESc1csc(-c2cn(C3CCC(C4CCCNC4)C3)c3ncncc23)n1
InChIInChI=1S/C19H23N5S/c1-2-14(9-20-5-1)13-3-4-15(8-13)24-11-17(19-22-6-7-25-19)16-10-21-12-23-18(16)24/h6-7,10-15,20H,1-5,8-9H2
InChIKeyPZWJRKVBZBUEEL-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole (CID 167462161) is 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole is c1csc(-c2cn(C3CCC(C4CCCNC4)C3)c3ncncc23)n1.
What is the InChIKey of 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole?
The InChIKey is PZWJRKVBZBUEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-2-14(9-20-5-1)13-3-4-15(8-13)24-11-17(19-22-6-7-25-19)16-10-21-12-23-18(16)24/h6-7,10-15,20H,1-5,8-9H2.
What are the key properties of 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole?
2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole has a molecular weight of 353.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-piperidin-3-ylcyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-thiazole is sourced from PubChem (CID 167462161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).