formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C14H19N3O6S — CID 163334581

IUPACformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@H]1CCO[C@H](CO)[C@H]1O.O=CO
InChIInChI=1S/C13H17N3O4S.CH2O2/c17-7-10-12(19)9(1-3-20-10)15-11(18)5-8-6-16-2-4-21-13(16)14-8;2-1-3/h2,4,6,9-10,12,17,19H,1,3,5,7H2,(H,15,18);1H,(H,2,3)/t9-,10+,12-;/m0./s1
InChIKeyAJVWPMRCYHSWOU-UQBXUTNJSA-N
MW357.39 g/mol
LogP-0.73
Rot. Bonds4

About formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 163334581) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound Nameformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID163334581
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Nameformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)N[C@H]1CCO[C@H](CO)[C@H]1O.O=CO
InChIInChI=1S/C13H17N3O4S.CH2O2/c17-7-10-12(19)9(1-3-20-10)15-11(18)5-8-6-16-2-4-21-13(16)14-8;2-1-3/h2,4,6,9-10,12,17,19H,1,3,5,7H2,(H,15,18);1H,(H,2,3)/t9-,10+,12-;/m0./s1
InChIKeyAJVWPMRCYHSWOU-UQBXUTNJSA-N
XLogP-0.73
TPSA133.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824444
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91769435
N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-(azetidin-3-yl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116582461
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 9266743
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyloxolan-3-yl)ethanone
CID 115791904

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of 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) is formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)N[C@H]1CCO[C@H](CO)[C@H]1O.O=CO.
What is the InChIKey of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is AJVWPMRCYHSWOU-UQBXUTNJSA-N. The full InChI is InChI=1S/C13H17N3O4S.CH2O2/c17-7-10-12(19)9(1-3-20-10)15-11(18)5-8-6-16-2-4-21-13(16)14-8;2-1-3/h2,4,6,9-10,12,17,19H,1,3,5,7H2,(H,15,18);1H,(H,2,3)/t9-,10+,12-;/m0./s1.
What are the key properties of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 357.39 g/mol, XLogP of -0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 163334581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).