2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde

C14H23N3OS — CID 81469738

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CC(C)C(N(C)C)C2)sc1C=O
InChIInChI=1S/C14H23N3OS/c1-5-6-11-13(9-18)19-14(15-11)17-7-10(2)12(8-17)16(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyKOGVXRKISQMIMY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.29
Rot. Bonds5

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 81469738) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID81469738
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CC(C)C(N(C)C)C2)sc1C=O
InChIInChI=1S/C14H23N3OS/c1-5-6-11-13(9-18)19-14(15-11)17-7-10(2)12(8-17)16(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyKOGVXRKISQMIMY-UHFFFAOYSA-N
XLogP2.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.29
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

1-[5-(ethylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464775
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509145
2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514260
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 107510640
4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766111
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55158334
2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63979718
1-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474880
[4-chloro-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 81474876
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307331
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765585

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 81469738) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CC(C)C(N(C)C)C2)sc1C=O.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is KOGVXRKISQMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-6-11-13(9-18)19-14(15-11)17-7-10(2)12(8-17)16(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 281.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 81469738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).