1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one

C16H20N4OS2 — CID 95590509

IUPAC1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C16H20N4OS2/c21-16-17-4-6-20(16)14-2-1-5-19(9-14)8-13-11-23-15(18-13)12-3-7-22-10-12/h3,7,10-11,14H,1-2,4-6,8-9H2,(H,17,21)/t14-/m0/s1
InChIKeyCHMFMEBWQXZMIR-AWEZNQCLSA-N
MW348.50 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 95590509) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID95590509
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C16H20N4OS2/c21-16-17-4-6-20(16)14-2-1-5-19(9-14)8-13-11-23-15(18-13)12-3-7-22-10-12/h3,7,10-11,14H,1-2,4-6,8-9H2,(H,17,21)/t14-/m0/s1
InChIKeyCHMFMEBWQXZMIR-AWEZNQCLSA-N
XLogP2.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 56821531
1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 71915672
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
1-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815378
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 94216420
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one (CID 95590509) is 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1.
What is the InChIKey of 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is CHMFMEBWQXZMIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4OS2/c21-16-17-4-6-20(16)14-2-1-5-19(9-14)8-13-11-23-15(18-13)12-3-7-22-10-12/h3,7,10-11,14H,1-2,4-6,8-9H2,(H,17,21)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 348.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).