2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione

C24H17N5O2S2 — CID 59213907

IUPAC2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione
SMILESCc1csc(-c2nc(CN3C(=O)c4ccccc4C3=O)n(C)c2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C24H17N5O2S2/c1-13-11-32-22(26-13)20-21(14-7-8-17-18(9-14)33-12-25-17)28(2)19(27-20)10-29-23(30)15-5-3-4-6-16(15)24(29)31/h3-9,11-12H,10H2,1-2H3
InChIKeyGLKVIJDAVFWZHF-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.92
Rot. Bonds4

About 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione

2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione (PubChem CID 59213907) has the molecular formula C24H17N5O2S2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione
PubChem CID59213907
Molecular FormulaC24H17N5O2S2
Molecular Weight471.57 g/mol
Exact Mass471.08
IUPAC Name2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione
SMILESCc1csc(-c2nc(CN3C(=O)c4ccccc4C3=O)n(C)c2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C24H17N5O2S2/c1-13-11-32-22(26-13)20-21(14-7-8-17-18(9-14)33-12-25-17)28(2)19(27-20)10-29-23(30)15-5-3-4-6-16(15)24(29)31/h3-9,11-12H,10H2,1-2H3
InChIKeyGLKVIJDAVFWZHF-UHFFFAOYSA-N
XLogP4.92
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione (CID 59213907) is 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione is Cc1csc(-c2nc(CN3C(=O)c4ccccc4C3=O)n(C)c2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is GLKVIJDAVFWZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2S2/c1-13-11-32-22(26-13)20-21(14-7-8-17-18(9-14)33-12-25-17)28(2)19(27-20)10-29-23(30)15-5-3-4-6-16(15)24(29)31/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione?
2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 471.57 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-benzothiazol-6-yl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)imidazol-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 59213907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).