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

C14H20N4O2S — CID 56821751

IUPAC1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1nccs1)N1CCCC(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)
InChIKeyIKOMHTQSDDWHNK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.09
Rot. Bonds4

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

1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821751) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID56821751
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1nccs1)N1CCCC(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)
InChIKeyIKOMHTQSDDWHNK-UHFFFAOYSA-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

(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368558
US11179399, Example 39
CID 163200059
1-((2S)-pyrrolidine-2-carbonyl)-4-(1,3-thiazol-2-yl)piperazine dihydrochloride
CID 71756998
N-[(R)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-(2-oxo-piperazin-1-yl)-acetamide
CID 44376468
3-(2-oxoimidazolidin-1-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 47079402
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56818955
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72129756
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide
CID 99830070

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (CID 56821751) is 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is O=C(CCc1nccs1)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is IKOMHTQSDDWHNK-UHFFFAOYSA-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).
What are the key properties of 1-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
1-[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-[1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).