4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde

C9H6ClNOS2 — CID 82130310

IUPAC4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(-c2ccc(Cl)s2)c(C=O)s1
InChIInChI=1S/C9H6ClNOS2/c1-5-11-9(7(4-12)13-5)6-2-3-8(10)14-6/h2-4H,1H3
InChIKeyMULHPEAOFAOGMG-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.65
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde

4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 82130310) has the molecular formula C9H6ClNOS2 and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID82130310
Molecular FormulaC9H6ClNOS2
Molecular Weight243.74 g/mol
Exact Mass242.96
IUPAC Name4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(-c2ccc(Cl)s2)c(C=O)s1
InChIInChI=1S/C9H6ClNOS2/c1-5-11-9(7(4-12)13-5)6-2-3-8(10)14-6/h2-4H,1H3
InChIKeyMULHPEAOFAOGMG-UHFFFAOYSA-N
XLogP3.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.65
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

4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 94697789
4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82128691
3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82115185
2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
CID 142103323
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 94699090
[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane
CID 170346331
3-(5-chlorothiophen-2-yl)-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61272269
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
CID 115005771
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
CID 82473516

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde (CID 82130310) is 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(-c2ccc(Cl)s2)c(C=O)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is MULHPEAOFAOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS2/c1-5-11-9(7(4-12)13-5)6-2-3-8(10)14-6/h2-4H,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde?
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 243.74 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82130310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).