N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide

C19H17N3O2S2 — CID 5310283

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cn12
InChIInChI=1S/C19H17N3O2S2/c1-14-13-25-19-21-17(12-22(14)19)11-20-26(23,24)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,12-13,20H,11H2,1H3
InChIKeyYPPSMUBRHQIJHK-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.85
Rot. Bonds5

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide (PubChem CID 5310283) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide
PubChem CID5310283
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cn12
InChIInChI=1S/C19H17N3O2S2/c1-14-13-25-19-21-17(12-22(14)19)11-20-26(23,24)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,12-13,20H,11H2,1H3
InChIKeyYPPSMUBRHQIJHK-UHFFFAOYSA-N
XLogP3.85
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide (CID 5310283) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide is Cc1csc2nc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide?
The InChIKey is YPPSMUBRHQIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-14-13-25-19-21-17(12-22(14)19)11-20-26(23,24)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,12-13,20H,11H2,1H3.
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide has a molecular weight of 383.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 5310283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).