N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C13H18N4OS — CID 3445626

IUPACN-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCC(C=NNC(=O)Cc1cn2ccsc2n1)CC
InChIInChI=1S/C13H18N4OS/c1-3-10(4-2)8-14-16-12(18)7-11-9-17-5-6-19-13(17)15-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyRXFQQNCNGOBSEL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.48
Rot. Bonds6

About N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 3445626) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID3445626
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCC(C=NNC(=O)Cc1cn2ccsc2n1)CC
InChIInChI=1S/C13H18N4OS/c1-3-10(4-2)8-14-16-12(18)7-11-9-17-5-6-19-13(17)15-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyRXFQQNCNGOBSEL-UHFFFAOYSA-N
XLogP2.48
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylhexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134057702
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
CID 79793246
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6005008
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 129449448
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 5143876
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 6031444
N-(1-hydroxy-2-methylbutan-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 64555428
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 4989244
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6219676

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 3445626) is N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CCC(C=NNC(=O)Cc1cn2ccsc2n1)CC.
What is the InChIKey of N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is RXFQQNCNGOBSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-10(4-2)8-14-16-12(18)7-11-9-17-5-6-19-13(17)15-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 278.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 3445626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).