4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole

C14H23N3S — CID 62961567

IUPAC4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
SMILESCCc1csc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C14H23N3S/c1-2-12-10-18-14(16-12)17-8-4-5-11(9-17)13-6-3-7-15-13/h10-11,13,15H,2-9H2,1H3
InChIKeyPHLWRTKNNKSBHE-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.67
Rot. Bonds3

About 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole

4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole (PubChem CID 62961567) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
PubChem CID62961567
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
SMILESCCc1csc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C14H23N3S/c1-2-12-10-18-14(16-12)17-8-4-5-11(9-17)13-6-3-7-15-13/h10-11,13,15H,2-9H2,1H3
InChIKeyPHLWRTKNNKSBHE-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole (CID 62961567) is 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole is CCc1csc(N2CCCC(C3CCCN3)C2)n1.
What is the InChIKey of 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is PHLWRTKNNKSBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-12-10-18-14(16-12)17-8-4-5-11(9-17)13-6-3-7-15-13/h10-11,13,15H,2-9H2,1H3.
What are the key properties of 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 62961567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).