2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde

C10H9NOS2 — CID 62318682

IUPAC2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2ncc(C=O)s2)s1
InChIInChI=1S/C10H9NOS2/c1-2-7-3-4-9(13-7)10-11-5-8(6-12)14-10/h3-6H,2H2,1H3
InChIKeyLNHBBONOIRSSAA-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.25
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde

2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62318682) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID62318682
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2ncc(C=O)s2)s1
InChIInChI=1S/C10H9NOS2/c1-2-7-3-4-9(13-7)10-11-5-8(6-12)14-10/h3-6H,2H2,1H3
InChIKeyLNHBBONOIRSSAA-UHFFFAOYSA-N
XLogP3.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263
2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole
CID 63384084
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 146635967
2-(3-bromofuran-2-yl)-1,3-thiazole-5-carbaldehyde
CID 106886413
2-(2-methylpyrimidin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 115528106
2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 130517750
2-pentyl-1,3-thiazole-5-carbaldehyde
CID 139349379
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
2-(2-propan-2-yloxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 178133884
2-(5-ethylthiophen-2-yl)acetaldehyde
CID 63967769

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde (CID 62318682) is 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde is CCc1ccc(-c2ncc(C=O)s2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is LNHBBONOIRSSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-2-7-3-4-9(13-7)10-11-5-8(6-12)14-10/h3-6H,2H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 223.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).