2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide

C11H15N3O4S — CID 94824310

IUPAC2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NO[C@@H]2CCCCO2)cs1
InChIInChI=1S/C11H15N3O4S/c1-7(15)12-11-13-8(6-19-11)10(16)14-18-9-4-2-3-5-17-9/h6,9H,2-5H2,1H3,(H,14,16)(H,12,13,15)/t9-/m1/s1
InChIKeyHVUAPQNQGMMTTM-SECBINFHSA-N
MW285.32 g/mol
LogP1.29
Rot. Bonds4

About 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide

2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide (PubChem CID 94824310) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
PubChem CID94824310
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NO[C@@H]2CCCCO2)cs1
InChIInChI=1S/C11H15N3O4S/c1-7(15)12-11-13-8(6-19-11)10(16)14-18-9-4-2-3-5-17-9/h6,9H,2-5H2,1H3,(H,14,16)(H,12,13,15)/t9-/m1/s1
InChIKeyHVUAPQNQGMMTTM-SECBINFHSA-N
XLogP1.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 95174222
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964
2-(1,3-benzodioxol-5-yl)-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 95305807
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101
2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 51583421
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
5-ethyl-N-(oxan-2-yloxy)furan-2-carboxamide
CID 60613092
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
CID 77046849
3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
CID 51103131

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide (CID 94824310) is 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NO[C@@H]2CCCCO2)cs1.
What is the InChIKey of 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
The InChIKey is HVUAPQNQGMMTTM-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(15)12-11-13-8(6-19-11)10(16)14-18-9-4-2-3-5-17-9/h6,9H,2-5H2,1H3,(H,14,16)(H,12,13,15)/t9-/m1/s1.
What are the key properties of 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 94824310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).