N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C13H20N4O3S2 — CID 60552370

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCN(CCCNC(=O)Cc1cn2ccsc2n1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O3S2/c1-3-17(22(2,19)20)6-4-5-14-12(18)9-11-10-16-7-8-21-13(16)15-11/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)
InChIKeyHQLFCIBKNHUQHX-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.73
Rot. Bonds8

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 60552370) has the molecular formula C13H20N4O3S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID60552370
Molecular FormulaC13H20N4O3S2
Molecular Weight344.46 g/mol
Exact Mass344.10
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCN(CCCNC(=O)Cc1cn2ccsc2n1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O3S2/c1-3-17(22(2,19)20)6-4-5-14-12(18)9-11-10-16-7-8-21-13(16)15-11/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)
InChIKeyHQLFCIBKNHUQHX-UHFFFAOYSA-N
XLogP0.73
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-(2-ethylhexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134057702
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55956493
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51941811
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546521
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8505262
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103839699

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 60552370) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CCN(CCCNC(=O)Cc1cn2ccsc2n1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is HQLFCIBKNHUQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S2/c1-3-17(22(2,19)20)6-4-5-14-12(18)9-11-10-16-7-8-21-13(16)15-11/h7-8,10H,3-6,9H2,1-2H3,(H,14,18).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 344.46 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 60552370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).