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

C10H14N2OS — CID 62757598

IUPAC2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCCN1c1ncc(C=O)s1
InChIInChI=1S/C10H14N2OS/c1-2-8-4-3-5-12(8)10-11-6-9(7-13)14-10/h6-8H,2-5H2,1H3
InChIKeyNDTBEPXGTRJWER-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.33
Rot. Bonds3

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

2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62757598) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62757598
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CCCN1c1ncc(C=O)s1
InChIInChI=1S/C10H14N2OS/c1-2-8-4-3-5-12(8)10-11-6-9(7-13)14-10/h6-8H,2-5H2,1H3
InChIKeyNDTBEPXGTRJWER-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757246
4-ethyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766614
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
2-(2-ethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765917
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
2-(2-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 104692508
2-(2-ethylpyrrolidin-1-yl)benzaldehyde
CID 60973642
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62932559
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
4-chloro-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688102

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 62757598) is 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is CCC1CCCN1c1ncc(C=O)s1.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is NDTBEPXGTRJWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-8-4-3-5-12(8)10-11-6-9(7-13)14-10/h6-8H,2-5H2,1H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62757598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).