(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C16H16N4O3S — CID 125420530

IUPAC(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2snnc2C)C1=O
InChIInChI=1S/C16H16N4O3S/c1-9-13(24-19-18-9)8-20-14(21)16(17-15(20)22)6-5-10-3-4-11(23-2)7-12(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,22)/t16-/m0/s1
InChIKeyKNIIEWDXGJXNER-INIZCTEOSA-N
MW344.40 g/mol
LogP1.75
Rot. Bonds3

About (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 125420530) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID125420530
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2snnc2C)C1=O
InChIInChI=1S/C16H16N4O3S/c1-9-13(24-19-18-9)8-20-14(21)16(17-15(20)22)6-5-10-3-4-11(23-2)7-12(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,22)/t16-/m0/s1
InChIKeyKNIIEWDXGJXNER-INIZCTEOSA-N
XLogP1.75
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.75
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

3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166229412
3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 138993289
3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71913145
3'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 139005419
5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71913144
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
2-[(4S)-7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2420958
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2702844
(3S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41130841
(4S)-3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8940626

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 125420530) is (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(Cc2snnc2C)C1=O.
What is the InChIKey of (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is KNIIEWDXGJXNER-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-9-13(24-19-18-9)8-20-14(21)16(17-15(20)22)6-5-10-3-4-11(23-2)7-12(10)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,22)/t16-/m0/s1.
What are the key properties of (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 344.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 125420530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).