(5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione

C17H16N4O3S — CID 89344164

IUPAC(5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
SMILESC=C1c2cc(OC)ccc2CN1C[C@]1(c2nccs2)NC(=O)NC1=O
InChIInChI=1S/C17H16N4O3S/c1-10-13-7-12(24-2)4-3-11(13)8-21(10)9-17(15-18-5-6-25-15)14(22)19-16(23)20-17/h3-7H,1,8-9H2,2H3,(H2,19,20,22,23)/t17-/m0/s1
InChIKeySKDIIAOINLMZHG-KRWDZBQOSA-N
MW356.41 g/mol
LogP1.67
Rot. Bonds4

About (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione (PubChem CID 89344164) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
PubChem CID89344164
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name(5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
SMILESC=C1c2cc(OC)ccc2CN1C[C@]1(c2nccs2)NC(=O)NC1=O
InChIInChI=1S/C17H16N4O3S/c1-10-13-7-12(24-2)4-3-11(13)8-21(10)9-17(15-18-5-6-25-15)14(22)19-16(23)20-17/h3-7H,1,8-9H2,2H3,(H2,19,20,22,23)/t17-/m0/s1
InChIKeySKDIIAOINLMZHG-KRWDZBQOSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione (CID 89344164) is (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione is C=C1c2cc(OC)ccc2CN1C[C@]1(c2nccs2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is SKDIIAOINLMZHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-13-7-12(24-2)4-3-11(13)8-21(10)9-17(15-18-5-6-25-15)14(22)19-16(23)20-17/h3-7H,1,8-9H2,2H3,(H2,19,20,22,23)/t17-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 356.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 89344164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).