1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

C14H20N4O2S — CID 94551535

IUPAC1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H20N4O2S/c1-11(19)18-5-2-3-12(18)13(20)16-6-8-17(9-7-16)14-15-4-10-21-14/h4,10,12H,2-3,5-9H2,1H3/t12-/m1/s1
InChIKeyYLOKOTKSJTUOEN-GFCCVEGCSA-N
MW308.41 g/mol
LogP0.80
Rot. Bonds2

About 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 94551535) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID94551535
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H20N4O2S/c1-11(19)18-5-2-3-12(18)13(20)16-6-8-17(9-7-16)14-15-4-10-21-14/h4,10,12H,2-3,5-9H2,1H3/t12-/m1/s1
InChIKeyYLOKOTKSJTUOEN-GFCCVEGCSA-N
XLogP0.80
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
(2R)-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78923072
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 24675829
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24618166
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 163311834
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 52529685

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 94551535) is 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YLOKOTKSJTUOEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(19)18-5-2-3-12(18)13(20)16-6-8-17(9-7-16)14-15-4-10-21-14/h4,10,12H,2-3,5-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 308.41 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94551535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).