1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one

C16H20N4OS — CID 95585798

IUPAC1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@@H]1CCCN(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C16H20N4OS/c21-16-17-7-9-20(16)12-4-3-8-19(10-12)11-15-18-13-5-1-2-6-14(13)22-15/h1-2,5-6,12H,3-4,7-11H2,(H,17,21)/t12-/m1/s1
InChIKeyRQEOTQNWWDAIQN-GFCCVEGCSA-N
MW316.43 g/mol
LogP2.29
Rot. Bonds3

About 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one

1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 95585798) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID95585798
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1[C@@H]1CCCN(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C16H20N4OS/c21-16-17-7-9-20(16)12-4-3-8-19(10-12)11-15-18-13-5-1-2-6-14(13)22-15/h1-2,5-6,12H,3-4,7-11H2,(H,17,21)/t12-/m1/s1
InChIKeyRQEOTQNWWDAIQN-GFCCVEGCSA-N
XLogP2.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carbaldehyde
CID 55100069
2-[[3-(bromomethyl)piperidin-1-yl]methyl]-1,3-benzothiazole
CID 104632056
1-[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844575
2-[5-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432836
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
methyl (3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxylate
CID 79047230
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914687
1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 94792411
1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590509
1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 56821531

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one (CID 95585798) is 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1[C@@H]1CCCN(Cc2nc3ccccc3s2)C1.
What is the InChIKey of 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is RQEOTQNWWDAIQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16-17-7-9-20(16)12-4-3-8-19(10-12)11-15-18-13-5-1-2-6-14(13)22-15/h1-2,5-6,12H,3-4,7-11H2,(H,17,21)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one?
1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95585798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).