4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde

C10H14ClNO4S — CID 103178170

IUPAC4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde
SMILESCOCCCOCCOc1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H14ClNO4S/c1-14-3-2-4-15-5-6-16-10-12-9(11)8(7-13)17-10/h7H,2-6H2,1H3
InChIKeyWFMYOJYFGVKCBP-UHFFFAOYSA-N
MW279.74 g/mol
LogP2.04
Rot. Bonds9

About 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde

4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde (PubChem CID 103178170) has the molecular formula C10H14ClNO4S and a molecular weight of 279.74 g/mol. Its IUPAC name is 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde
PubChem CID103178170
Molecular FormulaC10H14ClNO4S
Molecular Weight279.74 g/mol
Exact Mass279.03
IUPAC Name4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde
SMILESCOCCCOCCOc1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H14ClNO4S/c1-14-3-2-4-15-5-6-16-10-12-9(11)8(7-13)17-10/h7H,2-6H2,1H3
InChIKeyWFMYOJYFGVKCBP-UHFFFAOYSA-N
XLogP2.04
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-methylbut-3-enoxy)-1,3-thiazole-5-carbaldehyde
CID 114470261
4-chloro-2-(2-methoxyethylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 80692526
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
CID 103178190
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
CID 103177544
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
2-[3-(2-methoxyethoxy)propoxy]-1,3-thiazol-5-amine
CID 103400965
4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
CID 103177522
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde (CID 103178170) is 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde is COCCCOCCOc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde?
The InChIKey is WFMYOJYFGVKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-14-3-2-4-15-5-6-16-10-12-9(11)8(7-13)17-10/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde has a molecular weight of 279.74 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 103178170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).