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

C14H15N3O2S2 — CID 3236185

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1
InChIInChI=1S/C14H15N3O2S2/c1-10-3-4-13(11(2)7-10)21(18,19)15-8-12-9-17-5-6-20-14(17)16-12/h3-7,9,15H,8H2,1-2H3
InChIKeyUUMNDOQWWAUNHG-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.49
Rot. Bonds4

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 3236185) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide
PubChem CID3236185
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1
InChIInChI=1S/C14H15N3O2S2/c1-10-3-4-13(11(2)7-10)21(18,19)15-8-12-9-17-5-6-20-14(17)16-12/h3-7,9,15H,8H2,1-2H3
InChIKeyUUMNDOQWWAUNHG-UHFFFAOYSA-N
XLogP2.49
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide (CID 3236185) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is UUMNDOQWWAUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-10-3-4-13(11(2)7-10)21(18,19)15-8-12-9-17-5-6-20-14(17)16-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 3236185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).