2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde

C8H10N2O2S — CID 88964372

IUPAC2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCCOC2)s1
InChIInChI=1S/C8H10N2O2S/c11-5-7-4-9-8(13-7)10-2-1-3-12-6-10/h4-5H,1-3,6H2
InChIKeyUUWQLVYLBUKURS-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.14
Rot. Bonds2

About 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde

2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 88964372) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID88964372
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCCOC2)s1
InChIInChI=1S/C8H10N2O2S/c11-5-7-4-9-8(13-7)10-2-1-3-12-6-10/h4-5H,1-3,6H2
InChIKeyUUWQLVYLBUKURS-UHFFFAOYSA-N
XLogP1.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62932559
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 55160118
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62968494
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62749950
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757246
4-[[4-(5-formyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 88990060
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
CID 92669690

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde (CID 88964372) is 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCCOC2)s1.
What is the InChIKey of 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is UUWQLVYLBUKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-5-7-4-9-8(13-7)10-2-1-3-12-6-10/h4-5H,1-3,6H2.
What are the key properties of 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde?
2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 198.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazinan-3-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 88964372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).