1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

C14H20N4O2S — CID 95591002

IUPAC1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1nccs1)N1CCC[C@@H](N2CCNC2=O)C1
InChIInChI=1S/C14H20N4O2S/c19-13(4-3-12-15-6-9-21-12)17-7-1-2-11(10-17)18-8-5-16-14(18)20/h6,9,11H,1-5,7-8,10H2,(H,16,20)/t11-/m1/s1
InChIKeyIKOMHTQSDDWHNK-LLVKDONJSA-N
MW308.41 g/mol
LogP1.09
Rot. Bonds4

About 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 95591002) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID95591002
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1nccs1)N1CCC[C@@H](N2CCNC2=O)C1
InChIInChI=1S/C14H20N4O2S/c19-13(4-3-12-15-6-9-21-12)17-7-1-2-11(10-17)18-8-5-16-14(18)20/h6,9,11H,1-5,7-8,10H2,(H,16,20)/t11-/m1/s1
InChIKeyIKOMHTQSDDWHNK-LLVKDONJSA-N
XLogP1.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 95591095
(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
CID 129345042
1-[(3R)-1-[(3R)-3-cyclopropylbutanoyl]piperidin-3-yl]imidazolidin-2-one
CID 94216546
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 96500899
4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239816
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
3-methoxy-1-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256066
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (CID 95591002) is 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is O=C(CCc1nccs1)N1CCC[C@@H](N2CCNC2=O)C1.
What is the InChIKey of 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is IKOMHTQSDDWHNK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(4-3-12-15-6-9-21-12)17-7-1-2-11(10-17)18-8-5-16-14(18)20/h6,9,11H,1-5,7-8,10H2,(H,16,20)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 308.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95591002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).