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

C12H18N2OS — CID 62766614

IUPAC4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N2CCCC2CC)sc1C=O
InChIInChI=1S/C12H18N2OS/c1-3-9-6-5-7-14(9)12-13-10(4-2)11(8-15)16-12/h8-9H,3-7H2,1-2H3
InChIKeySMONDKNZFGHEQG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.90
Rot. Bonds4

About 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde

4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62766614) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62766614
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N2CCCC2CC)sc1C=O
InChIInChI=1S/C12H18N2OS/c1-3-9-6-5-7-14(9)12-13-10(4-2)11(8-15)16-12/h8-9H,3-7H2,1-2H3
InChIKeySMONDKNZFGHEQG-UHFFFAOYSA-N
XLogP2.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.90
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-ethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765917
2-(2-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 104692508
4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107508919
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 102728705
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
4-chloro-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688102
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62889768
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62766160
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62888931

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62766614) is 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is CCc1nc(N2CCCC2CC)sc1C=O.
What is the InChIKey of 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is SMONDKNZFGHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-9-6-5-7-14(9)12-13-10(4-2)11(8-15)16-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 238.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).