4-chloro-2-ethoxy-1,3-thiazole

C5H6ClNOS — CID 83157294

IUPAC4-chloro-2-ethoxy-1,3-thiazole
SMILESCCOc1nc(Cl)cs1
InChIInChI=1S/C5H6ClNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyCZZGXKYJIZNMRK-UHFFFAOYSA-N
MW163.63 g/mol
LogP2.20
Rot. Bonds2

About 4-chloro-2-ethoxy-1,3-thiazole

4-chloro-2-ethoxy-1,3-thiazole (PubChem CID 83157294) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-ethoxy-1,3-thiazole
PubChem CID83157294
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC Name4-chloro-2-ethoxy-1,3-thiazole
SMILESCCOc1nc(Cl)cs1
InChIInChI=1S/C5H6ClNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyCZZGXKYJIZNMRK-UHFFFAOYSA-N
XLogP2.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-1,3-thiazole?
The IUPAC name of 4-chloro-2-ethoxy-1,3-thiazole (CID 83157294) is 4-chloro-2-ethoxy-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-ethoxy-1,3-thiazole?
The canonical SMILES for 4-chloro-2-ethoxy-1,3-thiazole is CCOc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-ethoxy-1,3-thiazole?
The InChIKey is CZZGXKYJIZNMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3.
What are the key properties of 4-chloro-2-ethoxy-1,3-thiazole?
4-chloro-2-ethoxy-1,3-thiazole has a molecular weight of 163.63 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-1,3-thiazole is sourced from PubChem (CID 83157294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).