ethane;1,3-thiazole-5-carbaldehyde

C8H15NOS — CID 143223157

IUPACethane;1,3-thiazole-5-carbaldehyde
SMILESCC.CC.O=Cc1cncs1
InChIInChI=1S/C4H3NOS.2C2H6/c6-2-4-1-5-3-7-4;2*1-2/h1-3H;2*1-2H3
InChIKeyLLWLWENMKQXPDM-UHFFFAOYSA-N
MW173.28 g/mol
LogP3.01
Rot. Bonds1

About ethane;1,3-thiazole-5-carbaldehyde

ethane;1,3-thiazole-5-carbaldehyde (PubChem CID 143223157) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is ethane;1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Nameethane;1,3-thiazole-5-carbaldehyde
PubChem CID143223157
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Nameethane;1,3-thiazole-5-carbaldehyde
SMILESCC.CC.O=Cc1cncs1
InChIInChI=1S/C4H3NOS.2C2H6/c6-2-4-1-5-3-7-4;2*1-2/h1-3H;2*1-2H3
InChIKeyLLWLWENMKQXPDM-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 53.01
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

(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
CID 172744712
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
CID 175560337
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal
CID 173493810
5-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 112645499
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazole
CID 165471184
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
CID 146025236
2-bromo-2-(1,3-thiazol-5-yl)acetaldehyde
CID 118982160
5-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 163583215
iridium;5-methyl-1,3-thiazole
CID 141044355
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine
CID 18391469

Frequently Asked Questions

What is the IUPAC name of ethane;1,3-thiazole-5-carbaldehyde?
The IUPAC name of ethane;1,3-thiazole-5-carbaldehyde (CID 143223157) is ethane;1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for ethane;1,3-thiazole-5-carbaldehyde?
The canonical SMILES for ethane;1,3-thiazole-5-carbaldehyde is CC.CC.O=Cc1cncs1.
What is the InChIKey of ethane;1,3-thiazole-5-carbaldehyde?
The InChIKey is LLWLWENMKQXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NOS.2C2H6/c6-2-4-1-5-3-7-4;2*1-2/h1-3H;2*1-2H3.
What are the key properties of ethane;1,3-thiazole-5-carbaldehyde?
ethane;1,3-thiazole-5-carbaldehyde has a molecular weight of 173.28 g/mol, XLogP of 3.01, 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-5-carbaldehyde is sourced from PubChem (CID 143223157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).