2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

C24H22N6O3S2 — CID 175690576

IUPAC2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C24H22N6O3S2/c1-33-19-9-5-6-10-20(19)35(31,32)27-14-13-26-23-25-12-11-18(28-23)22-21(17-7-3-2-4-8-17)29-24-30(22)15-16-34-24/h2-12,15-16,27H,13-14H2,1H3,(H,25,26,28)
InChIKeyDFIUVUFOTRBJCM-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.92
Rot. Bonds9

About 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide

2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 175690576) has the molecular formula C24H22N6O3S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID175690576
Molecular FormulaC24H22N6O3S2
Molecular Weight506.61 g/mol
Exact Mass506.12
IUPAC Name2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C24H22N6O3S2/c1-33-19-9-5-6-10-20(19)35(31,32)27-14-13-26-23-25-12-11-18(28-23)22-21(17-7-3-2-4-8-17)29-24-30(22)15-16-34-24/h2-12,15-16,27H,13-14H2,1H3,(H,25,26,28)
InChIKeyDFIUVUFOTRBJCM-UHFFFAOYSA-N
XLogP3.92
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide (CID 175690576) is 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCCNc1nccc(-c2c(-c3ccccc3)nc3sccn23)n1.
What is the InChIKey of 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is DFIUVUFOTRBJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S2/c1-33-19-9-5-6-10-20(19)35(31,32)27-14-13-26-23-25-12-11-18(28-23)22-21(17-7-3-2-4-8-17)29-24-30(22)15-16-34-24/h2-12,15-16,27H,13-14H2,1H3,(H,25,26,28).
What are the key properties of 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide?
2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 506.61 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 175690576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).