N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide

C18H20N4O2S — CID 55781902

IUPACN-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-2-3-16(23)20-14-6-4-13(5-7-14)11-19-17(24)10-15-12-22-8-9-25-18(22)21-15/h4-9,12H,2-3,10-11H2,1H3,(H,19,24)(H,20,23)
InChIKeyHDMLRCBKXFWXOL-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide

N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide (PubChem CID 55781902) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
PubChem CID55781902
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C18H20N4O2S/c1-2-3-16(23)20-14-6-4-13(5-7-14)11-19-17(24)10-15-12-22-8-9-25-18(22)21-15/h4-9,12H,2-3,10-11H2,1H3,(H,19,24)(H,20,23)
InChIKeyHDMLRCBKXFWXOL-UHFFFAOYSA-N
XLogP2.99
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 35859078
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 55800466
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87006464
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 121122860
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60518318

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide?
The IUPAC name of N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide (CID 55781902) is N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CNC(=O)Cc2cn3ccsc3n2)cc1.
What is the InChIKey of N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide?
The InChIKey is HDMLRCBKXFWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-3-16(23)20-14-6-4-13(5-7-14)11-19-17(24)10-15-12-22-8-9-25-18(22)21-15/h4-9,12H,2-3,10-11H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide?
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide has a molecular weight of 356.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide is sourced from PubChem (CID 55781902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).