2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde

C23H28N4O2S — CID 146290503

IUPAC2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde
SMILESCN(c1nnc(-c2ccc3c(C=O)c(O)ccc3c2)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28N4O2S/c1-22(2)11-16(12-23(3,4)26-22)27(5)21-25-24-20(30-21)15-6-8-17-14(10-15)7-9-19(29)18(17)13-28/h6-10,13,16,26,29H,11-12H2,1-5H3
InChIKeyVSHBVUOSNSRNCS-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.62
Rot. Bonds4

About 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde

2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde (PubChem CID 146290503) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde
PubChem CID146290503
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde
SMILESCN(c1nnc(-c2ccc3c(C=O)c(O)ccc3c2)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H28N4O2S/c1-22(2)11-16(12-23(3,4)26-22)27(5)21-25-24-20(30-21)15-6-8-17-14(10-15)7-9-19(29)18(17)13-28/h6-10,13,16,26,29H,11-12H2,1-5H3
InChIKeyVSHBVUOSNSRNCS-UHFFFAOYSA-N
XLogP4.62
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde (CID 146290503) is 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde is CN(c1nnc(-c2ccc3c(C=O)c(O)ccc3c2)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde?
The InChIKey is VSHBVUOSNSRNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-22(2)11-16(12-23(3,4)26-22)27(5)21-25-24-20(30-21)15-6-8-17-14(10-15)7-9-19(29)18(17)13-28/h6-10,13,16,26,29H,11-12H2,1-5H3.
What are the key properties of 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde has a molecular weight of 424.57 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 146290503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).