N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

C22H20N6O3S2 — CID 89040289

IUPACN-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(Cn4ccnc4C=O)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H20N6O3S2/c1-27(33(30,31)20-7-2-3-8-24-20)18-6-4-5-15-11-17(26-21(15)18)22-25-12-16(32-22)13-28-10-9-23-19(28)14-29/h2-11,14,16,26H,12-13H2,1H3
InChIKeyZRKPXRIAZPSKRY-UHFFFAOYSA-N
MW480.58 g/mol
LogP2.96
Rot. Bonds7

About N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 89040289) has the molecular formula C22H20N6O3S2 and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
PubChem CID89040289
Molecular FormulaC22H20N6O3S2
Molecular Weight480.58 g/mol
Exact Mass480.10
IUPAC NameN-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
SMILESCN(c1cccc2cc(C3=NCC(Cn4ccnc4C=O)S3)[nH]c12)S(=O)(=O)c1ccccn1
InChIInChI=1S/C22H20N6O3S2/c1-27(33(30,31)20-7-2-3-8-24-20)18-6-4-5-15-11-17(26-21(15)18)22-25-12-16(32-22)13-28-10-9-23-19(28)14-29/h2-11,14,16,26H,12-13H2,1H3
InChIKeyZRKPXRIAZPSKRY-UHFFFAOYSA-N
XLogP2.96
TPSA113.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 89040289) is N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is CN(c1cccc2cc(C3=NCC(Cn4ccnc4C=O)S3)[nH]c12)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
The InChIKey is ZRKPXRIAZPSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S2/c1-27(33(30,31)20-7-2-3-8-24-20)18-6-4-5-15-11-17(26-21(15)18)22-25-12-16(32-22)13-28-10-9-23-19(28)14-29/h2-11,14,16,26H,12-13H2,1H3.
What are the key properties of N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?
N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 480.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-formylimidazol-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 89040289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).