ethane;1,3-thiazole-2-carbaldehyde

C6H9NOS — CID 142180566

IUPACethane;1,3-thiazole-2-carbaldehyde
SMILESCC.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.C2H6/c6-3-4-5-1-2-7-4;1-2/h1-3H;1-2H3
InChIKeyURLRRMMVWGQOKG-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.98
Rot. Bonds1

About ethane;1,3-thiazole-2-carbaldehyde

ethane;1,3-thiazole-2-carbaldehyde (PubChem CID 142180566) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is ethane;1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Nameethane;1,3-thiazole-2-carbaldehyde
PubChem CID142180566
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Nameethane;1,3-thiazole-2-carbaldehyde
SMILESCC.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.C2H6/c6-3-4-5-1-2-7-4;1-2/h1-3H;1-2H3
InChIKeyURLRRMMVWGQOKG-UHFFFAOYSA-N
XLogP1.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylthiazole
CID 520108
2-Ethoxythiazole
CID 61809
2-Propionylthiazole
CID 65288
1,3-Thiazole-2-carbaldehyde
CID 2734903
1,3-Thiazole-2-carboxamide
CID 17750911
Methyl thiazole-2-carboxylate
CID 7567660
5-Bromo-1,3-thiazole-2-carbaldehyde
CID 26370427
5-Iodo-1,3-thiazole-2-carbaldehyde
CID 66223256
Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
N,N-Diethyl-2-thiazolecarboxamide
CID 110695970
2-Fluoro-2-(1,3-thiazol-2-yl)propanal
CID 174667422
2-Fluoro-2-(1,3-thiazol-2-yl)acetaldehyde
CID 175429249

Frequently Asked Questions

What is the IUPAC name of ethane;1,3-thiazole-2-carbaldehyde?
The IUPAC name of ethane;1,3-thiazole-2-carbaldehyde (CID 142180566) is ethane;1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for ethane;1,3-thiazole-2-carbaldehyde?
The canonical SMILES for ethane;1,3-thiazole-2-carbaldehyde is CC.O=Cc1nccs1.
What is the InChIKey of ethane;1,3-thiazole-2-carbaldehyde?
The InChIKey is URLRRMMVWGQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NOS.C2H6/c6-3-4-5-1-2-7-4;1-2/h1-3H;1-2H3.
What are the key properties of ethane;1,3-thiazole-2-carbaldehyde?
ethane;1,3-thiazole-2-carbaldehyde has a molecular weight of 143.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 142180566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).