N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

C19H16ClN5O3S2 — CID 2410287

IUPACN-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1
InChIInChI=1S/C19H16ClN5O3S2/c1-24(2)30(27,28)15-9-5-13(6-10-15)17(26)22-18-23-25-11-16(21-19(25)29-18)12-3-7-14(20)8-4-12/h3-11H,1-2H3,(H,22,23,26)
InChIKeyGAKPKBIJCPNSKJ-UHFFFAOYSA-N
MW461.96 g/mol
LogP3.61
Rot. Bonds5

About N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2410287) has the molecular formula C19H16ClN5O3S2 and a molecular weight of 461.96 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2410287
Molecular FormulaC19H16ClN5O3S2
Molecular Weight461.96 g/mol
Exact Mass461.04
IUPAC NameN-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1
InChIInChI=1S/C19H16ClN5O3S2/c1-24(2)30(27,28)15-9-5-13(6-10-15)17(26)22-18-23-25-11-16(21-19(25)29-18)12-3-7-14(20)8-4-12/h3-11H,1-2H3,(H,22,23,26)
InChIKeyGAKPKBIJCPNSKJ-UHFFFAOYSA-N
XLogP3.61
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (CID 2410287) is N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1.
What is the InChIKey of N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is GAKPKBIJCPNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S2/c1-24(2)30(27,28)15-9-5-13(6-10-15)17(26)22-18-23-25-11-16(21-19(25)29-18)12-3-7-14(20)8-4-12/h3-11H,1-2H3,(H,22,23,26).
What are the key properties of N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 461.96 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2410287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).