2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde

C15H16N2OS — CID 62765746

IUPAC2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCC1CCN(c2nc(-c3ccccc3)c(C=O)s2)C1
InChIInChI=1S/C15H16N2OS/c1-11-7-8-17(9-11)15-16-14(13(10-18)19-15)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyCAUDNWTZCMMRBO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde

2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765746) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765746
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCC1CCN(c2nc(-c3ccccc3)c(C=O)s2)C1
InChIInChI=1S/C15H16N2OS/c1-11-7-8-17(9-11)15-16-14(13(10-18)19-15)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyCAUDNWTZCMMRBO-UHFFFAOYSA-N
XLogP3.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.47
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

5-Lox-IN-1
CID 2354998
[2-(1-Azepanyl)-4-phenyl-1,3-thiazol-5-yl](phenyl)methanone
CID 4437359
2-(Morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 2326533
2-Amino-4-phenylthiazole-5-carboxamide
CID 16729436
(2-Morpholino-4-phenylthiazol-5-yl)(piperidin-1-yl)methanone
CID 1236967
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 24686699
5-Acetyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole
CID 2377052
1-(5-Benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine
CID 4968501
[2-(1-Azepanyl)-4-phenyl-1,3-thiazol-5-yl](phenyl)methanone d_5_
CID 11834648
1-[4-Acetyl-2,5-dimethyl-1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrol-3-yl]ethanone
CID 1277147
[2-(Azepan-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-5-yl]-phenylmethanone
CID 11834649
2-Amino-4-phenyl-N-propyl-5-thiazolecarboxamide
CID 35433446

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde (CID 62765746) is 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde is CC1CCN(c2nc(-c3ccccc3)c(C=O)s2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is CAUDNWTZCMMRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-7-8-17(9-11)15-16-14(13(10-18)19-15)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 272.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).