N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide

C19H16FN3O3S2 — CID 146411362

IUPACN-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2c(C)nc3sccn23)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3S2/c1-12-18(23-9-10-27-19(23)21-12)13-3-8-16(26-2)17(11-13)28(24,25)22-15-6-4-14(20)5-7-15/h3-11,22H,1-2H3
InChIKeyQCFYZUDETGMVSQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.32
Rot. Bonds5

About N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide

N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide (PubChem CID 146411362) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide
PubChem CID146411362
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC NameN-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2c(C)nc3sccn23)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3S2/c1-12-18(23-9-10-27-19(23)21-12)13-3-8-16(26-2)17(11-13)28(24,25)22-15-6-4-14(20)5-7-15/h3-11,22H,1-2H3
InChIKeyQCFYZUDETGMVSQ-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide (CID 146411362) is N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide is COc1ccc(-c2c(C)nc3sccn23)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide?
The InChIKey is QCFYZUDETGMVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c1-12-18(23-9-10-27-19(23)21-12)13-3-8-16(26-2)17(11-13)28(24,25)22-15-6-4-14(20)5-7-15/h3-11,22H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide?
N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 146411362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).