(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

C19H15N5O3S — CID 2467017

IUPAC(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C19H15N5O3S/c25-16-8-12(21-19-23(16)5-6-28-19)10-24-17(26)15(22-18(24)27)7-11-9-20-14-4-2-1-3-13(11)14/h1-6,8-9,15,20H,7,10H2,(H,22,27)/t15-/m1/s1
InChIKeyCBUDBWGFUMIABC-OAHLLOKOSA-N
MW393.43 g/mol
LogP1.90
Rot. Bonds4

About (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (PubChem CID 2467017) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
PubChem CID2467017
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C19H15N5O3S/c25-16-8-12(21-19-23(16)5-6-28-19)10-24-17(26)15(22-18(24)27)7-11-9-20-14-4-2-1-3-13(11)14/h1-6,8-9,15,20H,7,10H2,(H,22,27)/t15-/m1/s1
InChIKeyCBUDBWGFUMIABC-OAHLLOKOSA-N
XLogP1.90
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.90
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 (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione (CID 2467017) is (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is CBUDBWGFUMIABC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-16-8-12(21-19-23(16)5-6-28-19)10-24-17(26)15(22-18(24)27)7-11-9-20-14-4-2-1-3-13(11)14/h1-6,8-9,15,20H,7,10H2,(H,22,27)/t15-/m1/s1.
What are the key properties of (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 393.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2467017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).