5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde

C15H16N2OS — CID 62929843

IUPAC5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CN(CCc1ccccc1)CC2
InChIInChI=1S/C15H16N2OS/c18-11-15-16-13-7-9-17(10-14(13)19-15)8-6-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyIDQQGTSOVMQKKZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.56
Rot. Bonds4

About 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde

5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (PubChem CID 62929843) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
PubChem CID62929843
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(s1)CN(CCc1ccccc1)CC2
InChIInChI=1S/C15H16N2OS/c18-11-15-16-13-7-9-17(10-14(13)19-15)8-6-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyIDQQGTSOVMQKKZ-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The IUPAC name of 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde (CID 62929843) is 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is O=Cc1nc2c(s1)CN(CCc1ccccc1)CC2.
What is the InChIKey of 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
The InChIKey is IDQQGTSOVMQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-11-15-16-13-7-9-17(10-14(13)19-15)8-6-12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde?
5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde has a molecular weight of 272.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 62929843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).