1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone

C12H17N3OS — CID 82382457

IUPAC1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)N1Cc2nc(C3CCCCN3)sc2C1
InChIInChI=1S/C12H17N3OS/c1-8(16)15-6-10-11(7-15)17-12(14-10)9-4-2-3-5-13-9/h9,13H,2-7H2,1H3
InChIKeyDMBWMLMOTMVIAA-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.82
Rot. Bonds1

About 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone

1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (PubChem CID 82382457) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
PubChem CID82382457
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)N1Cc2nc(C3CCCCN3)sc2C1
InChIInChI=1S/C12H17N3OS/c1-8(16)15-6-10-11(7-15)17-12(14-10)9-4-2-3-5-13-9/h9,13H,2-7H2,1H3
InChIKeyDMBWMLMOTMVIAA-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 62541413
1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 123694071
2-[(2R)-pyrrolidin-2-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 42078499
6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 62541069
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
5-acetyl-N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142914864
N-methyl-2-[(2S)-piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124955227
2,5-dimethyl-4-piperidin-2-yl-1,3-thiazole
CID 82399301
3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355291
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
CID 84645394
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone (CID 82382457) is 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is CC(=O)N1Cc2nc(C3CCCCN3)sc2C1.
What is the InChIKey of 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is DMBWMLMOTMVIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(16)15-6-10-11(7-15)17-12(14-10)9-4-2-3-5-13-9/h9,13H,2-7H2,1H3.
What are the key properties of 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone?
1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 251.35 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 82382457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).