(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride

C8H14ClN3O2S — CID 119483069

IUPAC(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
SMILESCl.NC1CCN(C(=O)[C@@H]2CSC(=O)N2)C1
InChIInChI=1S/C8H13N3O2S.ClH/c9-5-1-2-11(3-5)7(12)6-4-14-8(13)10-6;/h5-6H,1-4,9H2,(H,10,13);1H/t5?,6-;/m0./s1
InChIKeyCUXMJEZXMZNNEL-PQAGPIFVSA-N
MW251.74 g/mol
LogP-0.21
Rot. Bonds1

About (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride

(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride (PubChem CID 119483069) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
PubChem CID119483069
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
SMILESCl.NC1CCN(C(=O)[C@@H]2CSC(=O)N2)C1
InChIInChI=1S/C8H13N3O2S.ClH/c9-5-1-2-11(3-5)7(12)6-4-14-8(13)10-6;/h5-6H,1-4,9H2,(H,10,13);1H/t5?,6-;/m0./s1
InChIKeyCUXMJEZXMZNNEL-PQAGPIFVSA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 5-0.21
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

(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119486878
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119520526
(4S)-4-(2-azaspiro[4.4]nonane-2-carbonyl)-1,3-thiazolidin-2-one
CID 99775088
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263
(4R)-4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120745296
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
(3-aminopyrrolidin-1-yl)-(1,4-dithian-2-yl)methanone;hydrochloride
CID 119483072
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
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-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride (CID 119483069) is (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride is Cl.NC1CCN(C(=O)[C@@H]2CSC(=O)N2)C1.
What is the InChIKey of (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride?
The InChIKey is CUXMJEZXMZNNEL-PQAGPIFVSA-N. The full InChI is InChI=1S/C8H13N3O2S.ClH/c9-5-1-2-11(3-5)7(12)6-4-14-8(13)10-6;/h5-6H,1-4,9H2,(H,10,13);1H/t5?,6-;/m0./s1.
What are the key properties of (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride?
(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride has a molecular weight of 251.74 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride is sourced from PubChem (CID 119483069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).