2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole

C8H11ClN2O2S — CID 80607681

IUPAC2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole
SMILESClc1nnc(COCC2CCOC2)s1
InChIInChI=1S/C8H11ClN2O2S/c9-8-11-10-7(14-8)5-13-4-6-1-2-12-3-6/h6H,1-5H2
InChIKeyWLSDMRTXVGNRRJ-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.74
Rot. Bonds4

About 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole

2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole (PubChem CID 80607681) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole
PubChem CID80607681
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole
SMILESClc1nnc(COCC2CCOC2)s1
InChIInChI=1S/C8H11ClN2O2S/c9-8-11-10-7(14-8)5-13-4-6-1-2-12-3-6/h6H,1-5H2
InChIKeyWLSDMRTXVGNRRJ-UHFFFAOYSA-N
XLogP1.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine
CID 62885453
[5-(oxolan-3-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 107558808
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
5-chloro-N-methyl-6-(oxolan-3-ylmethoxymethyl)pyridin-2-amine
CID 62884966
2-chloro-5-(oxan-4-ylsulfanylmethyl)-1,3,4-thiadiazole
CID 80606446
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246364
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
N-methyl-1-[4-(oxolan-3-ylmethoxymethyl)phenyl]methanamine
CID 62484188
6-methyl-2-(oxolan-3-ylmethoxymethyl)pyrimidin-4-amine
CID 80655013
2-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 54977500
1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole (CID 80607681) is 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole is Clc1nnc(COCC2CCOC2)s1.
What is the InChIKey of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole?
The InChIKey is WLSDMRTXVGNRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c9-8-11-10-7(14-8)5-13-4-6-1-2-12-3-6/h6H,1-5H2.
What are the key properties of 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole?
2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole has a molecular weight of 234.71 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(oxolan-3-ylmethoxymethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 80607681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).