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

C10H9ClN2OS2 — CID 94697789

IUPAC4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCN(C)c1nc(-c2ccc(Cl)s2)c(C=O)s1
InChIInChI=1S/C10H9ClN2OS2/c1-13(2)10-12-9(7(5-14)16-10)6-3-4-8(11)15-6/h3-5H,1-2H3
InChIKeyFQMFJOYEKJVREJ-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.40
Rot. Bonds3

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

4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 94697789) has the molecular formula C10H9ClN2OS2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID94697789
Molecular FormulaC10H9ClN2OS2
Molecular Weight272.78 g/mol
Exact Mass271.98
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
SMILESCN(C)c1nc(-c2ccc(Cl)s2)c(C=O)s1
InChIInChI=1S/C10H9ClN2OS2/c1-13(2)10-12-9(7(5-14)16-10)6-3-4-8(11)15-6/h3-5H,1-2H3
InChIKeyFQMFJOYEKJVREJ-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82130310
2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 14570024
2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 82133288
3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82115185
3-(5-chlorothiophen-2-yl)-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61272269
(Z)-3-[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylprop-2-enal
CID 131473077
2-[3-(dimethylamino)propyl-methylamino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 63725506
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107
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
[2-chloro-4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-yl]phosphane
CID 170346331
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde (CID 94697789) is 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde is CN(C)c1nc(-c2ccc(Cl)s2)c(C=O)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is FQMFJOYEKJVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS2/c1-13(2)10-12-9(7(5-14)16-10)6-3-4-8(11)15-6/h3-5H,1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde?
4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 272.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 94697789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).