N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C16H24N4O3S — CID 91784775

IUPACN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C16H24N4O3S/c1-19(2)4-7-23-14-3-6-22-11-13(14)18-15(21)9-12-10-20-5-8-24-16(20)17-12/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyORAVQCDFOAFOAH-KGLIPLIRSA-N
MW352.46 g/mol
LogP0.79
Rot. Bonds7

About N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 91784775) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID91784775
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C16H24N4O3S/c1-19(2)4-7-23-14-3-6-22-11-13(14)18-15(21)9-12-10-20-5-8-24-16(20)17-12/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyORAVQCDFOAFOAH-KGLIPLIRSA-N
XLogP0.79
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91769435
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163334581
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 133268591
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824444
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
CID 133267426
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 103839699
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 91784775) is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is ORAVQCDFOAFOAH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-19(2)4-7-23-14-3-6-22-11-13(14)18-15(21)9-12-10-20-5-8-24-16(20)17-12/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 352.46 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 91784775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).