2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde

C10H10ClNOS — CID 123144129

IUPAC2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(Cl)=CC=C(C)c1ncc(C=O)s1
InChIInChI=1S/C10H10ClNOS/c1-7(3-4-8(2)11)10-12-5-9(6-13)14-10/h3-6H,1-2H3
InChIKeyLVLQNDQXIPMADA-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde

2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 123144129) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID123144129
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(Cl)=CC=C(C)c1ncc(C=O)s1
InChIInChI=1S/C10H10ClNOS/c1-7(3-4-8(2)11)10-12-5-9(6-13)14-10/h3-6H,1-2H3
InChIKeyLVLQNDQXIPMADA-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-1,3-thiazole-2-carboxylic acid
CID 82415952
2-[(1Z)-3-chloro-1-(methylideneamino)buta-1,3-dien-2-yl]-1,3-thiazole-5-carbaldehyde
CID 155717649
2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 45084000
2-[(1S,2R)-2-methylcyclopropyl]-1,3-thiazole-5-carbaldehyde
CID 96839529
2-(2-methoxybutan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 116773975
2-pentyl-1,3-thiazole-5-carbaldehyde
CID 139349379
2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 54326570
N-[5-[chloro(deuterio)methyl]-1,3-thiazol-2-yl]acetamide;N-(5-formyl-1,3-thiazol-2-yl)acetamide;methane
CID 163681117
2-(ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
1-[5-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]ethanone;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-carbaldehyde
CID 172949720
2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 146635967
2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbaldehyde
CID 58378362

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde (CID 123144129) is 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde is CC(Cl)=CC=C(C)c1ncc(C=O)s1.
What is the InChIKey of 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is LVLQNDQXIPMADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-7(3-4-8(2)11)10-12-5-9(6-13)14-10/h3-6H,1-2H3.
What are the key properties of 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 227.72 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorohexa-2,4-dien-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 123144129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).