3-(1,3-thiazol-2-yl)benzaldehyde

C10H7NOS — CID 18525725

IUPAC3-(1,3-thiazol-2-yl)benzaldehyde
SMILESO=Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C10H7NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-7H
InChIKeyYJMGIEKCDQXKKZ-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.62
Rot. Bonds2

About 3-(1,3-thiazol-2-yl)benzaldehyde

3-(1,3-thiazol-2-yl)benzaldehyde (PubChem CID 18525725) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)benzaldehyde
PubChem CID18525725
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name3-(1,3-thiazol-2-yl)benzaldehyde
SMILESO=Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C10H7NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-7H
InChIKeyYJMGIEKCDQXKKZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.62
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 3-(1,3-thiazol-2-yl)benzaldehyde?
The IUPAC name of 3-(1,3-thiazol-2-yl)benzaldehyde (CID 18525725) is 3-(1,3-thiazol-2-yl)benzaldehyde.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)benzaldehyde?
The canonical SMILES for 3-(1,3-thiazol-2-yl)benzaldehyde is O=Cc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)benzaldehyde?
The InChIKey is YJMGIEKCDQXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-7H.
What are the key properties of 3-(1,3-thiazol-2-yl)benzaldehyde?
3-(1,3-thiazol-2-yl)benzaldehyde has a molecular weight of 189.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)benzaldehyde is sourced from PubChem (CID 18525725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).