2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde

C14H11NOS — CID 87127555

IUPAC2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(N2C=CSC2)ccc2ccccc12
InChIInChI=1S/C14H11NOS/c16-9-13-12-4-2-1-3-11(12)5-6-14(13)15-7-8-17-10-15/h1-9H,10H2
InChIKeyYKAYSSDTUCSGQC-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.63
Rot. Bonds2

About 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde

2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde (PubChem CID 87127555) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde
PubChem CID87127555
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(N2C=CSC2)ccc2ccccc12
InChIInChI=1S/C14H11NOS/c16-9-13-12-4-2-1-3-11(12)5-6-14(13)15-7-8-17-10-15/h1-9H,10H2
InChIKeyYKAYSSDTUCSGQC-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde (CID 87127555) is 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde is O=Cc1c(N2C=CSC2)ccc2ccccc12.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde?
The InChIKey is YKAYSSDTUCSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-9-13-12-4-2-1-3-11(12)5-6-14(13)15-7-8-17-10-15/h1-9H,10H2.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde?
2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde has a molecular weight of 241.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 87127555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).