[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

C18H25N3O2S — CID 124607742

IUPAC[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESCCC[C@@H]1SCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C18H25N3O2S/c1-2-4-16-21(11-12-24-16)18(23)15-5-3-10-20(13-15)17(22)14-6-8-19-9-7-14/h6-9,15-16H,2-5,10-13H2,1H3/t15-,16-/m0/s1
InChIKeyRGFBSDIZRKYUDY-HOTGVXAUSA-N
MW347.48 g/mol
LogP2.64
Rot. Bonds4

About [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 124607742) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID124607742
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESCCC[C@@H]1SCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C18H25N3O2S/c1-2-4-16-21(11-12-24-16)18(23)15-5-3-10-20(13-15)17(22)14-6-8-19-9-7-14/h6-9,15-16H,2-5,10-13H2,1H3/t15-,16-/m0/s1
InChIKeyRGFBSDIZRKYUDY-HOTGVXAUSA-N
XLogP2.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
[4-(1-aminoethyl)piperidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 119517024
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
(6R)-1,6-dimethyl-4-[(3S)-1-(pyridine-4-carbonyl)piperidine-3-carbonyl]piperazin-2-one
CID 124917954
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210383
N-(5-ethyl-1H-pyrazol-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 71991373
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (CID 124607742) is [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is CCC[C@@H]1SCCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is RGFBSDIZRKYUDY-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-2-4-16-21(11-12-24-16)18(23)15-5-3-10-20(13-15)17(22)14-6-8-19-9-7-14/h6-9,15-16H,2-5,10-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
[(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 347.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-propyl-1,3-thiazolidin-3-yl]-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 124607742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).