1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine

C14H24N4S — CID 80553166

IUPAC1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCCc1csc(N2CCC(N3CCC(N)CC3)C2)n1
InChIInChI=1S/C14H24N4S/c1-2-12-10-19-14(16-12)18-8-5-13(9-18)17-6-3-11(15)4-7-17/h10-11,13H,2-9,15H2,1H3
InChIKeyPKFAGRNVLUIZSH-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.71
Rot. Bonds3

About 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553166) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553166
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCCc1csc(N2CCC(N3CCC(N)CC3)C2)n1
InChIInChI=1S/C14H24N4S/c1-2-12-10-19-14(16-12)18-8-5-13(9-18)17-6-3-11(15)4-7-17/h10-11,13H,2-9,15H2,1H3
InChIKeyPKFAGRNVLUIZSH-UHFFFAOYSA-N
XLogP1.71
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553166) is 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine is CCc1csc(N2CCC(N3CCC(N)CC3)C2)n1.
What is the InChIKey of 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is PKFAGRNVLUIZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-2-12-10-19-14(16-12)18-8-5-13(9-18)17-6-3-11(15)4-7-17/h10-11,13H,2-9,15H2,1H3.
What are the key properties of 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).