4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole

C9H12ClNO2S — CID 83152491

IUPAC4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
SMILESClc1csc(OCC2CCCCO2)n1
InChIInChI=1S/C9H12ClNO2S/c10-8-6-14-9(11-8)13-5-7-3-1-2-4-12-7/h6-7H,1-5H2
InChIKeyOQUKSXZIAMKTKL-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole

4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole (PubChem CID 83152491) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
PubChem CID83152491
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
SMILESClc1csc(OCC2CCCCO2)n1
InChIInChI=1S/C9H12ClNO2S/c10-8-6-14-9(11-8)13-5-7-3-1-2-4-12-7/h6-7H,1-5H2
InChIKeyOQUKSXZIAMKTKL-UHFFFAOYSA-N
XLogP2.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(cyclopentylmethoxy)-1,3-thiazole
CID 83153468
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597
[3-chloro-6-(oxan-2-ylmethoxy)-2-pyridinyl]methanamine
CID 55058525
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868914
2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
CID 21330006

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole (CID 83152491) is 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole is Clc1csc(OCC2CCCCO2)n1.
What is the InChIKey of 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole?
The InChIKey is OQUKSXZIAMKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c10-8-6-14-9(11-8)13-5-7-3-1-2-4-12-7/h6-7H,1-5H2.
What are the key properties of 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole?
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole has a molecular weight of 233.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole is sourced from PubChem (CID 83152491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).