2-chloro-5-(ethoxymethyl)-1,3-thiazole

C6H8ClNOS — CID 53385573

IUPAC2-chloro-5-(ethoxymethyl)-1,3-thiazole
SMILESCCOCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c1-2-9-4-5-3-8-6(7)10-5/h3H,2,4H2,1H3
InChIKeyJGEREWXSIKBLFO-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-5-(ethoxymethyl)-1,3-thiazole

2-chloro-5-(ethoxymethyl)-1,3-thiazole (PubChem CID 53385573) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2-chloro-5-(ethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(ethoxymethyl)-1,3-thiazole
PubChem CID53385573
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2-chloro-5-(ethoxymethyl)-1,3-thiazole
SMILESCCOCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c1-2-9-4-5-3-8-6(7)10-5/h3H,2,4H2,1H3
InChIKeyJGEREWXSIKBLFO-UHFFFAOYSA-N
XLogP2.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(ethoxymethyl)-1,3-thiazole (CID 53385573) is 2-chloro-5-(ethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(ethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(ethoxymethyl)-1,3-thiazole is CCOCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(ethoxymethyl)-1,3-thiazole?
The InChIKey is JGEREWXSIKBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-2-9-4-5-3-8-6(7)10-5/h3H,2,4H2,1H3.
What are the key properties of 2-chloro-5-(ethoxymethyl)-1,3-thiazole?
2-chloro-5-(ethoxymethyl)-1,3-thiazole has a molecular weight of 177.66 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 53385573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).