(4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide

C10H17N3O2S — CID 128922850

IUPAC(4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCN1CC(NC(=O)[C@H]2CSCN2)CCC1=O
InChIInChI=1S/C10H17N3O2S/c1-13-4-7(2-3-9(13)14)12-10(15)8-5-16-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,15)/t7?,8-/m1/s1
InChIKeyFRFZEJZMJHGEAS-BRFYHDHCSA-N
MW243.33 g/mol
LogP-0.61
Rot. Bonds2

About (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 128922850) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID128922850
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESCN1CC(NC(=O)[C@H]2CSCN2)CCC1=O
InChIInChI=1S/C10H17N3O2S/c1-13-4-7(2-3-9(13)14)12-10(15)8-5-16-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,15)/t7?,8-/m1/s1
InChIKeyFRFZEJZMJHGEAS-BRFYHDHCSA-N
XLogP-0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
((2S,4S)-4-(piperidin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439325
((2S,4S)-4-(4-methylpiperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439327
Cyclo(-Met-Pro)
CID 6502027
Cyclo-Met-Pro-diketopiperazine
CID 6428989
2,5-Diamino-1-thiazolidin-3-yl-pentan-1-one
CID 44364297
(3R,8aR)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325718
(5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 57781821
(4S)-3-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
CID 13312535
(4S)-3-[(2S)-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]pentanoyl]-1,3-thiazolidine-4-carboxamide
CID 13312552
(3S,6R,8aR)-5-oxo-6-(pyrrolidine-2-carbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 44315838
H-D-Pyr-D-Met-D-Pro-NH2
CID 44377070

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide (CID 128922850) is (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide is CN1CC(NC(=O)[C@H]2CSCN2)CCC1=O.
What is the InChIKey of (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FRFZEJZMJHGEAS-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13-4-7(2-3-9(13)14)12-10(15)8-5-16-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,15)/t7?,8-/m1/s1.
What are the key properties of (4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of -0.61, 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-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 128922850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).