2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole

C9H12ClNO2S — CID 79764859

IUPAC2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCC2CCCO2)s1
InChIInChI=1S/C9H12ClNO2S/c10-9-11-4-8(14-9)6-12-5-7-2-1-3-13-7/h4,7H,1-3,5-6H2
InChIKeyPPMZXHNUHBWECM-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.49
Rot. Bonds4

About 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole

2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole (PubChem CID 79764859) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
PubChem CID79764859
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCC2CCCO2)s1
InChIInChI=1S/C9H12ClNO2S/c10-9-11-4-8(14-9)6-12-5-7-2-1-3-13-7/h4,7H,1-3,5-6H2
InChIKeyPPMZXHNUHBWECM-UHFFFAOYSA-N
XLogP2.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(cyclopentylmethoxymethyl)-1,3-thiazole
CID 79763985
2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558038
5-(oxolan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62194442
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396
[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443830
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole (CID 79764859) is 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole is Clc1ncc(COCC2CCCO2)s1.
What is the InChIKey of 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole?
The InChIKey is PPMZXHNUHBWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c10-9-11-4-8(14-9)6-12-5-7-2-1-3-13-7/h4,7H,1-3,5-6H2.
What are the key properties of 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole?
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole has a molecular weight of 233.72 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79764859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).