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

C10H14N2OS — CID 115089764

IUPAC2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCN1CCC(c2ncc(C=O)s2)C1
InChIInChI=1S/C10H14N2OS/c1-2-12-4-3-8(6-12)10-11-5-9(7-13)14-10/h5,7-8H,2-4,6H2,1H3
InChIKeyXCQPUTTWJFOJML-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.76
Rot. Bonds3

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

2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 115089764) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID115089764
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCN1CCC(c2ncc(C=O)s2)C1
InChIInChI=1S/C10H14N2OS/c1-2-12-4-3-8(6-12)10-11-5-9(7-13)14-10/h5,7-8H,2-4,6H2,1H3
InChIKeyXCQPUTTWJFOJML-UHFFFAOYSA-N
XLogP1.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.76
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

1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115089794
2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
CID 65404794
2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
CID 65415619
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
CID 115089760
2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089977
2-[(1S,2R)-2-methylcyclopropyl]-1,3-thiazole-5-carbaldehyde
CID 96839529
3-[2-(1-ethylpiperidin-3-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115090461
3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117140967
(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
CID 71860212
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090061
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
CID 92669690
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
CID 115090621

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde (CID 115089764) is 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde is CCN1CCC(c2ncc(C=O)s2)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XCQPUTTWJFOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-12-4-3-8(6-12)10-11-5-9(7-13)14-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde?
2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 115089764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).