4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde

About 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde

4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde (PubChem CID 143916643) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name	4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde
PubChem CID	143916643
Molecular Formula	C23H30N2OS
Molecular Weight	382.57 g/mol
Exact Mass	382.21
IUPAC Name	4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde
SMILES	CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C=O)CC4)n3)ccc21
InChI	InChI=1S/C23H30N2OS/c1-22(2)9-10-23(3,4)19-13-17(5-6-18(19)22)20-14-27-21(24-20)16-7-11-25(15-26)12-8-16/h5-6,13-16H,7-12H2,1-4H3
InChIKey	DAIRHRANGHIIFI-UHFFFAOYSA-N
XLogP	5.49
TPSA	33.20 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde?

The IUPAC name of 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde (CID 143916643) is 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde.

What is the SMILES notation for 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde?

The canonical SMILES for 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C=O)CC4)n3)ccc21.

What is the InChIKey of 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde?

The InChIKey is DAIRHRANGHIIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-22(2)9-10-23(3,4)19-13-17(5-6-18(19)22)20-14-27-21(24-20)16-7-11-25(15-26)12-8-16/h5-6,13-16H,7-12H2,1-4H3.

What are the key properties of 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde?

4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde has a molecular weight of 382.57 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 143916643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).