N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C13H18N4O2S — CID 31563729

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)16-11(19)7-14-10(18)6-9-8-17-4-5-20-12(17)15-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,16,19)
InChIKeyPIANZLYDFPZNKJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.97
Rot. Bonds4

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

N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 31563729) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID31563729
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(C)(C)NC(=O)CNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-13(2,3)16-11(19)7-14-10(18)6-9-8-17-4-5-20-12(17)15-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,16,19)
InChIKeyPIANZLYDFPZNKJ-UHFFFAOYSA-N
XLogP0.97
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 134027782
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-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 66179467
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103839699
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
1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 110965922
N-(2-ethylhexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134057702
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 31563729) is N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CC(C)(C)NC(=O)CNC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is PIANZLYDFPZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,3)16-11(19)7-14-10(18)6-9-8-17-4-5-20-12(17)15-9/h4-5,8H,6-7H2,1-3H3,(H,14,18)(H,16,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 31563729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).