2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde

C8H9NO2S — CID 92669690

IUPAC2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc([C@@H]2CCCO2)s1
InChIInChI=1S/C8H9NO2S/c10-5-6-4-9-8(12-6)7-2-1-3-11-7/h4-5,7H,1-3H2/t7-/m0/s1
InChIKeySQICHXMMJHXHHR-ZETCQYMHSA-N
MW183.23 g/mol
LogP1.81
Rot. Bonds2

About 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde

2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 92669690) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID92669690
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc([C@@H]2CCCO2)s1
InChIInChI=1S/C8H9NO2S/c10-5-6-4-9-8(12-6)7-2-1-3-11-7/h4-5,7H,1-3H2/t7-/m0/s1
InChIKeySQICHXMMJHXHHR-ZETCQYMHSA-N
XLogP1.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 115021526
3-methyl-1-[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529355
(3S,3aR,6aR)-2-[2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469136
(3S,3aR,6aS)-2-[2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469133
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
CID 65404990
2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
CID 65404794
3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115035808
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
CID 115089760
2-(1,4-dithian-2-yl)-1,3-thiazole-5-carbaldehyde
CID 79966744
2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
CID 65415619
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65328204

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde (CID 92669690) is 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc([C@@H]2CCCO2)s1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is SQICHXMMJHXHHR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-5-6-4-9-8(12-6)7-2-1-3-11-7/h4-5,7H,1-3H2/t7-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde?
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 183.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 92669690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).