4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole

C6H6ClNO2S — CID 102606214

IUPAC4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole
SMILESClc1csc(OC2COC2)n1
InChIInChI=1S/C6H6ClNO2S/c7-5-3-11-6(8-5)10-4-1-9-2-4/h3-4H,1-2H2
InChIKeyQTMZYWKCRXGJHY-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.57
Rot. Bonds2

About 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole

4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole (PubChem CID 102606214) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole
PubChem CID102606214
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole
SMILESClc1csc(OC2COC2)n1
InChIInChI=1S/C6H6ClNO2S/c7-5-3-11-6(8-5)10-4-1-9-2-4/h3-4H,1-2H2
InChIKeyQTMZYWKCRXGJHY-UHFFFAOYSA-N
XLogP1.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(7-chloroquinolin-4-yl)-2-(oxolan-3-yloxy)-1,3-thiazole
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6-[(4-chloro-1,3-thiazol-2-yl)oxymethyl]-2,2-dimethylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole (CID 102606214) is 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole is Clc1csc(OC2COC2)n1.
What is the InChIKey of 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole?
The InChIKey is QTMZYWKCRXGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-5-3-11-6(8-5)10-4-1-9-2-4/h3-4H,1-2H2.
What are the key properties of 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole?
4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole has a molecular weight of 191.64 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxetan-3-yloxy)-1,3-thiazole is sourced from PubChem (CID 102606214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).