(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione

C18H22N4O2S2 — CID 52531636

IUPAC(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCSc1nnc(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)s1
InChIInChI=1S/C18H22N4O2S2/c1-17(2,3)11-6-8-12(9-7-11)18(4)14(23)22(15(24)19-18)10-13-20-21-16(25-5)26-13/h6-9H,10H2,1-5H3,(H,19,24)/t18-/m1/s1
InChIKeyYJRBVTCOHABEDN-GOSISDBHSA-N
MW390.53 g/mol
LogP3.52
Rot. Bonds4

About (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 52531636) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID52531636
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCSc1nnc(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)s1
InChIInChI=1S/C18H22N4O2S2/c1-17(2,3)11-6-8-12(9-7-11)18(4)14(23)22(15(24)19-18)10-13-20-21-16(25-5)26-13/h6-9H,10H2,1-5H3,(H,19,24)/t18-/m1/s1
InChIKeyYJRBVTCOHABEDN-GOSISDBHSA-N
XLogP3.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione (CID 52531636) is (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione is CSc1nnc(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)s1.
What is the InChIKey of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is YJRBVTCOHABEDN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-17(2,3)11-6-8-12(9-7-11)18(4)14(23)22(15(24)19-18)10-13-20-21-16(25-5)26-13/h6-9H,10H2,1-5H3,(H,19,24)/t18-/m1/s1.
What are the key properties of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 390.53 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-tert-butylphenyl)-5-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 52531636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).