2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde

C8H10N2OS — CID 115089760

IUPAC2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCNC2)s1
InChIInChI=1S/C8H10N2OS/c11-5-7-4-10-8(12-7)6-1-2-9-3-6/h4-6,9H,1-3H2
InChIKeyDLJXBUQACAOQAM-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.03
Rot. Bonds2

About 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde

2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 115089760) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
PubChem CID115089760
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCNC2)s1
InChIInChI=1S/C8H10N2OS/c11-5-7-4-10-8(12-7)6-1-2-9-3-6/h4-6,9H,1-3H2
InChIKeyDLJXBUQACAOQAM-UHFFFAOYSA-N
XLogP1.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 115041800
2-(3-ethylcyclopentyl)-1,3-thiazole-5-carbaldehyde
CID 65404794
2-(3-ethylcyclohexyl)-1,3-thiazole-5-carbaldehyde
CID 65415619
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 115089840
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
CID 92669690
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650
6-piperidin-4-ylthieno[2,3-b]pyridine-2-carbaldehyde
CID 170747715
2-(1,4-dithian-2-yl)-1,3-thiazole-5-carbaldehyde
CID 79966744
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine
CID 118654672
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde (CID 115089760) is 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(C2CCNC2)s1.
What is the InChIKey of 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is DLJXBUQACAOQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-5-7-4-10-8(12-7)6-1-2-9-3-6/h4-6,9H,1-3H2.
What are the key properties of 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde?
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 182.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 115089760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).