(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

C17H14N4O3S — CID 51531205

IUPAC(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H14N4O3S/c22-14-9-12(18-17-20(14)6-7-25-17)10-21-15(23)13(19-16(21)24)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,19,24)/t13-/m0/s1
InChIKeyUWHSCFPRKVUMJJ-ZDUSSCGKSA-N
MW354.39 g/mol
LogP1.42
Rot. Bonds4

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

(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 51531205) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID51531205
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H14N4O3S/c22-14-9-12(18-17-20(14)6-7-25-17)10-21-15(23)13(19-16(21)24)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,19,24)/t13-/m0/s1
InChIKeyUWHSCFPRKVUMJJ-ZDUSSCGKSA-N
XLogP1.42
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2467017
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
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-[[2-aminoethyl(2-phenylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120871527
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
1-cyclopentyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4,5-trione
CID 2663285
7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
cyclopropyl-[(2-fluorophenyl)methyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8978042
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908074

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (CID 51531205) is (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UWHSCFPRKVUMJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-14-9-12(18-17-20(14)6-7-25-17)10-21-15(23)13(19-16(21)24)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,19,24)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 354.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51531205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).