(5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

C17H18N4O2S — CID 124882241

IUPAC(5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
SMILESCc1nnc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)s1
InChIInChI=1S/C17H18N4O2S/c1-11-19-20-14(24-11)10-21-15(22)17(18-16(21)23)9-5-4-7-12-6-2-3-8-13(12)17/h2-3,6,8H,4-5,7,9-10H2,1H3,(H,18,23)/t17-/m1/s1
InChIKeyHOHFHCQSXKLVPS-QGZVFWFLSA-N
MW342.42 g/mol
LogP2.52
Rot. Bonds2

About (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

(5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (PubChem CID 124882241) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
PubChem CID124882241
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
SMILESCc1nnc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)s1
InChIInChI=1S/C17H18N4O2S/c1-11-19-20-14(24-11)10-21-15(22)17(18-16(21)23)9-5-4-7-12-6-2-3-8-13(12)17/h2-3,6,8H,4-5,7,9-10H2,1H3,(H,18,23)/t17-/m1/s1
InChIKeyHOHFHCQSXKLVPS-QGZVFWFLSA-N
XLogP2.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (CID 124882241) is (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione is Cc1nnc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)s1.
What is the InChIKey of (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The InChIKey is HOHFHCQSXKLVPS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-19-20-14(24-11)10-21-15(22)17(18-16(21)23)9-5-4-7-12-6-2-3-8-13(12)17/h2-3,6,8H,4-5,7,9-10H2,1H3,(H,18,23)/t17-/m1/s1.
What are the key properties of (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
(5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione has a molecular weight of 342.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3'-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 124882241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).