N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide

C15H17N3O2S2 — CID 7151322

IUPACN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1
InChIInChI=1S/C15H17N3O2S2/c1-3-7-22(19,20)17-13-6-4-5-12(8-13)14-9-18-11(2)10-21-15(18)16-14/h4-6,8-10,17H,3,7H2,1-2H3
InChIKeyNVAWWWVVMDXNGY-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.52
Rot. Bonds5

About N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide (PubChem CID 7151322) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
PubChem CID7151322
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1
InChIInChI=1S/C15H17N3O2S2/c1-3-7-22(19,20)17-13-6-4-5-12(8-13)14-9-18-11(2)10-21-15(18)16-14/h4-6,8-10,17H,3,7H2,1-2H3
InChIKeyNVAWWWVVMDXNGY-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide (CID 7151322) is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1.
What is the InChIKey of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
The InChIKey is NVAWWWVVMDXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-3-7-22(19,20)17-13-6-4-5-12(8-13)14-9-18-11(2)10-21-15(18)16-14/h4-6,8-10,17H,3,7H2,1-2H3.
What are the key properties of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide?
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide has a molecular weight of 335.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 7151322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).