(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one

C11H19N3O2S — CID 119520526

IUPAC(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESCC(N)C1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1
InChIInChI=1S/C11H19N3O2S/c1-7(12)8-2-4-14(5-3-8)10(15)9-6-17-11(16)13-9/h7-9H,2-6,12H2,1H3,(H,13,16)/t7?,9-/m0/s1
InChIKeyHZQBVNIIJXSPLN-NETXQHHPSA-N
MW257.36 g/mol
LogP0.40
Rot. Bonds2

About (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one

(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 119520526) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID119520526
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESCC(N)C1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1
InChIInChI=1S/C11H19N3O2S/c1-7(12)8-2-4-14(5-3-8)10(15)9-6-17-11(16)13-9/h7-9H,2-6,12H2,1H3,(H,13,16)/t7?,9-/m0/s1
InChIKeyHZQBVNIIJXSPLN-NETXQHHPSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 63123107
(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
CID 119483069
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119486878
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263
(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124607235
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144812
(4S)-4-(2-azaspiro[4.4]nonane-2-carbonyl)-1,3-thiazolidin-2-one
CID 99775088
4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 102558711

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one (CID 119520526) is (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one is CC(N)C1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1.
What is the InChIKey of (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is HZQBVNIIJXSPLN-NETXQHHPSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(12)8-2-4-14(5-3-8)10(15)9-6-17-11(16)13-9/h7-9H,2-6,12H2,1H3,(H,13,16)/t7?,9-/m0/s1.
What are the key properties of (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 257.36 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 119520526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).