(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C9H16ClN3O2S — CID 119308806

IUPAC(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN1CC(NC(=O)[C@H]2CSCN2)CC1=O.Cl
InChIInChI=1S/C9H15N3O2S.ClH/c1-12-3-6(2-8(12)13)11-9(14)7-4-15-5-10-7;/h6-7,10H,2-5H2,1H3,(H,11,14);1H/t6?,7-;/m1./s1
InChIKeyKCSUPJZCHXOTMM-SGMQTFONSA-N
MW265.77 g/mol
LogP-0.58
Rot. Bonds2

About (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride

(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119308806) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119308806
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC Name(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN1CC(NC(=O)[C@H]2CSCN2)CC1=O.Cl
InChIInChI=1S/C9H15N3O2S.ClH/c1-12-3-6(2-8(12)13)11-9(14)7-4-15-5-10-7;/h6-7,10H,2-5H2,1H3,(H,11,14);1H/t6?,7-;/m1./s1
InChIKeyKCSUPJZCHXOTMM-SGMQTFONSA-N
XLogP-0.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119324352
N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 110745995
N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119327543
N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129370733
(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 120627814
N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861381
N-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
CID 110821301
(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119270483
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758188
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119308806) is (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CN1CC(NC(=O)[C@H]2CSCN2)CC1=O.Cl.
What is the InChIKey of (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is KCSUPJZCHXOTMM-SGMQTFONSA-N. The full InChI is InChI=1S/C9H15N3O2S.ClH/c1-12-3-6(2-8(12)13)11-9(14)7-4-15-5-10-7;/h6-7,10H,2-5H2,1H3,(H,11,14);1H/t6?,7-;/m1./s1.
What are the key properties of (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 265.77 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119308806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).