2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone

C15H23N3O3S — CID 70765016

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone
SMILESCC[C@@]1(O)CCN(C(=O)CC2=CSC3=NCCCN23)C[C@H]1O
InChIInChI=1S/C15H23N3O3S/c1-2-15(21)4-7-17(9-12(15)19)13(20)8-11-10-22-14-16-5-3-6-18(11)14/h10,12,19,21H,2-9H2,1H3/t12-,15-/m1/s1
InChIKeyHMYXNEPSNCHVFH-IUODEOHRSA-N
MW325.43 g/mol
LogP0.76
Rot. Bonds3

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone (PubChem CID 70765016) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone
PubChem CID70765016
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone
SMILESCC[C@@]1(O)CCN(C(=O)CC2=CSC3=NCCCN23)C[C@H]1O
InChIInChI=1S/C15H23N3O3S/c1-2-15(21)4-7-17(9-12(15)19)13(20)8-11-10-22-14-16-5-3-6-18(11)14/h10,12,19,21H,2-9H2,1H3/t12-,15-/m1/s1
InChIKeyHMYXNEPSNCHVFH-IUODEOHRSA-N
XLogP0.76
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 91761622
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70726668
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 99993809
(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 98260827
5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 56740245
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 125155741
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137337511
1-[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethanone
CID 133125197
(6S)-2-cyclopropyl-8-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 98301776
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 98371643
N-[[(2S,4S)-1-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]-4-fluoropyrrolidin-2-yl]methyl]methanesulfonamide
CID 70758854
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 118771094

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone (CID 70765016) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone is CC[C@@]1(O)CCN(C(=O)CC2=CSC3=NCCCN23)C[C@H]1O.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone?
The InChIKey is HMYXNEPSNCHVFH-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-15(21)4-7-17(9-12(15)19)13(20)8-11-10-22-14-16-5-3-6-18(11)14/h10,12,19,21H,2-9H2,1H3/t12-,15-/m1/s1.
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 70765016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).