2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide

C18H22N4O3S2 — CID 8505262

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
SMILESCc1c(C)c(C)c(S(=O)(=O)NNC(=O)Cc2cn3ccsc3n2)c(C)c1C
InChIInChI=1S/C18H22N4O3S2/c1-10-11(2)13(4)17(14(5)12(10)3)27(24,25)21-20-16(23)8-15-9-22-6-7-26-18(22)19-15/h6-7,9,21H,8H2,1-5H3,(H,20,23)
InChIKeyIWTZGASRCHDCJX-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.49
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide (PubChem CID 8505262) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
PubChem CID8505262
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
SMILESCc1c(C)c(C)c(S(=O)(=O)NNC(=O)Cc2cn3ccsc3n2)c(C)c1C
InChIInChI=1S/C18H22N4O3S2/c1-10-11(2)13(4)17(14(5)12(10)3)27(24,25)21-20-16(23)8-15-9-22-6-7-26-18(22)19-15/h6-7,9,21H,8H2,1-5H3,(H,20,23)
InChIKeyIWTZGASRCHDCJX-UHFFFAOYSA-N
XLogP2.49
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-dimethylphenyl)sulfonyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetohydrazide
CID 8505231
N'-(2,4-difluorophenyl)sulfonyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetohydrazide
CID 8505191
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
N-(1-hydroxy-2-methylbutan-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 64555428
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
CID 79793246
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 60552370
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
CID 17411234
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 121122860

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide (CID 8505262) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide is Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)Cc2cn3ccsc3n2)c(C)c1C.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
The InChIKey is IWTZGASRCHDCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-10-11(2)13(4)17(14(5)12(10)3)27(24,25)21-20-16(23)8-15-9-22-6-7-26-18(22)19-15/h6-7,9,21H,8H2,1-5H3,(H,20,23).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide has a molecular weight of 406.53 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8505262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).