2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

C14H22N2OS — CID 62766450

IUPAC2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCCCCCC2)sc1C=O
InChIInChI=1S/C14H22N2OS/c1-2-8-12-13(11-17)18-14(15-12)16-9-6-4-3-5-7-10-16/h11H,2-10H2,1H3
InChIKeyVLUSJWFYBAQVSK-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.68
Rot. Bonds4

About 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62766450) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID62766450
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCCCCCC2)sc1C=O
InChIInChI=1S/C14H22N2OS/c1-2-8-12-13(11-17)18-14(15-12)16-9-6-4-3-5-7-10-16/h11H,2-10H2,1H3
InChIKeyVLUSJWFYBAQVSK-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.68
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 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde (CID 62766450) is 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CCCCCCC2)sc1C=O.
What is the InChIKey of 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VLUSJWFYBAQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-8-12-13(11-17)18-14(15-12)16-9-6-4-3-5-7-10-16/h11H,2-10H2,1H3.
What are the key properties of 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde?
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).