(5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione

About (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 124838286) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
PubChem CID	124838286
Molecular Formula	C24H24N4O4S
Molecular Weight	464.55 g/mol
Exact Mass	464.15
IUPAC Name	(5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
SMILES	C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O
InChI	InChI=1S/C24H24N4O4S/c1-24(15-8-9-18-19(13-15)32-12-11-31-18)22(29)28(23(30)26-24)14-27-10-4-6-17(27)21-25-16-5-2-3-7-20(16)33-21/h2-3,5,7-9,13,17H,4,6,10-12,14H2,1H3,(H,26,30)/t17-,24+/m0/s1
InChIKey	KOTWCUZTCIHSIM-BXKMTCNYSA-N
XLogP	3.63
TPSA	84.00 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione (CID 124838286) is (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O.

What is the InChIKey of (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?

The InChIKey is KOTWCUZTCIHSIM-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-24(15-8-9-18-19(13-15)32-12-11-31-18)22(29)28(23(30)26-24)14-27-10-4-6-17(27)21-25-16-5-2-3-7-20(16)33-21/h2-3,5,7-9,13,17H,4,6,10-12,14H2,1H3,(H,26,30)/t17-,24+/m0/s1.

What are the key properties of (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione?

(5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 464.55 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124838286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).