N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide

C15H17N3O2S2 — CID 7150826

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)c(C)c1
InChIInChI=1S/C15H17N3O2S2/c1-11-3-4-14(12(2)9-11)22(19,20)16-6-5-13-10-18-7-8-21-15(18)17-13/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyOBBMSRVEPNLMOD-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.53
Rot. Bonds5

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 7150826) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide
PubChem CID7150826
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)c(C)c1
InChIInChI=1S/C15H17N3O2S2/c1-11-3-4-14(12(2)9-11)22(19,20)16-6-5-13-10-18-7-8-21-15(18)17-13/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyOBBMSRVEPNLMOD-UHFFFAOYSA-N
XLogP2.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide (CID 7150826) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)c(C)c1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is OBBMSRVEPNLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-11-3-4-14(12(2)9-11)22(19,20)16-6-5-13-10-18-7-8-21-15(18)17-13/h3-4,7-10,16H,5-6H2,1-2H3.
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 7150826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).