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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Related Compounds

4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 65168397
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 60979385
6-(1-cyclopentyl-4-ethylimidazol-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553781
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 62958401
4-chloro-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106595938
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074

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).