(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C23H18N6O5S — CID 46200602

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Nc5nccs5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H18N6O5S/c1-33-13-3-2-12-10-29(19(30)14(12)8-13)11-23(20(31)27-21(32)28-23)17-9-15-16(34-17)4-5-18(25-15)26-22-24-6-7-35-22/h2-9H,10-11H2,1H3,(H,24,25,26)(H2,27,28,31,32)/t23-/m0/s1
InChIKeyZRVHSCKARHHJAM-QHCPKHFHSA-N
MW490.50 g/mol
LogP2.73
Rot. Bonds6

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 46200602) has the molecular formula C23H18N6O5S and a molecular weight of 490.50 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
PubChem CID46200602
Molecular FormulaC23H18N6O5S
Molecular Weight490.50 g/mol
Exact Mass490.11
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Nc5nccs5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H18N6O5S/c1-33-13-3-2-12-10-29(19(30)14(12)8-13)11-23(20(31)27-21(32)28-23)17-9-15-16(34-17)4-5-18(25-15)26-22-24-6-7-35-22/h2-9H,10-11H2,1H3,(H,24,25,26)(H2,27,28,31,32)/t23-/m0/s1
InChIKeyZRVHSCKARHHJAM-QHCPKHFHSA-N
XLogP2.73
TPSA138.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 46200602) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(Nc5nccs5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
The InChIKey is ZRVHSCKARHHJAM-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18N6O5S/c1-33-13-3-2-12-10-29(19(30)14(12)8-13)11-23(20(31)27-21(32)28-23)17-9-15-16(34-17)4-5-18(25-15)26-22-24-6-7-35-22/h2-9H,10-11H2,1H3,(H,24,25,26)(H2,27,28,31,32)/t23-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 490.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3-thiazol-2-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).