1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione

C15H14N4O4S — CID 2663285

IUPAC1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H14N4O4S/c20-11-7-9(16-14-17(11)5-6-24-14)8-18-12(21)13(22)19(15(18)23)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyQUSFLIDDQLBEOK-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.99
Rot. Bonds3

About 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 2663285) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID2663285
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H14N4O4S/c20-11-7-9(16-14-17(11)5-6-24-14)8-18-12(21)13(22)19(15(18)23)10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyQUSFLIDDQLBEOK-UHFFFAOYSA-N
XLogP0.99
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 7807322
7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655248
7-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9394297
7-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 94476831
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908074
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
2-[[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-4-yl]methyl]isoindole-1,3-dione
CID 47059782
7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66195220
7-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51546474
7-[[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136586064

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione (CID 2663285) is 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is QUSFLIDDQLBEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-11-7-9(16-14-17(11)5-6-24-14)8-18-12(21)13(22)19(15(18)23)10-3-1-2-4-10/h5-7,10H,1-4,8H2.
What are the key properties of 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 346.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2663285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).