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

C14H15N3O2S2 — CID 7150835

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-11-2-4-13(5-3-11)21(18,19)15-7-6-12-10-17-8-9-20-14(17)16-12/h2-5,8-10,15H,6-7H2,1H3
InChIKeyBOKNKIHTXQJMAC-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.23
Rot. Bonds5

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

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide (PubChem CID 7150835) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide
PubChem CID7150835
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H15N3O2S2/c1-11-2-4-13(5-3-11)21(18,19)15-7-6-12-10-17-8-9-20-14(17)16-12/h2-5,8-10,15H,6-7H2,1H3
InChIKeyBOKNKIHTXQJMAC-UHFFFAOYSA-N
XLogP2.23
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(Phenylmethylthio)methyl]imidazo[2,1-b]thiazole
CID 2997803
Imidazo[2,1-b]thiazole,5-[4-(methylsulfonyl)phenyl]-6-phenyl-
CID 9928539
4-methyl-N-[3-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607155
4-methyl-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607156
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzenesulfonamide
CID 983284
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 3236185
5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
CID 3237455
2,4,6-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 3241083
2,4,5-trimethyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 3244766
3-Methyl-6-((p-tolylthio)methyl)imidazo[2,1-b]thiazole hydrobromide
CID 6603455
3-fluoro-N-(4-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)benzenesulfonamide
CID 7151326
N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide
CID 155927924

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide (CID 7150835) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide?
The InChIKey is BOKNKIHTXQJMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-11-2-4-13(5-3-11)21(18,19)15-7-6-12-10-17-8-9-20-14(17)16-12/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methylbenzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.23, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 7150835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).