3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole

C9H14N2OS — CID 155227232

IUPAC3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nc(C2CCOC2)ns1
InChIInChI=1S/C9H14N2OS/c1-6(2)9-10-8(11-13-9)7-3-4-12-5-7/h6-7H,3-5H2,1-2H3
InChIKeyLNLISJXAENNCHQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.17
Rot. Bonds2

About 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole

3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 155227232) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID155227232
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nc(C2CCOC2)ns1
InChIInChI=1S/C9H14N2OS/c1-6(2)9-10-8(11-13-9)7-3-4-12-5-7/h6-7H,3-5H2,1-2H3
InChIKeyLNLISJXAENNCHQ-UHFFFAOYSA-N
XLogP2.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-3-(oxolan-3-yl)-1,2,4-thiadiazole
CID 65329082
3-(4-Methyloxan-4-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 90398009
3-(Oxan-4-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 90398013
5-Methyl-3-(oxan-4-yl)-1,2,4-thiadiazole
CID 90400216
5-Methyl-3-(4-methyloxan-4-yl)-1,2,4-thiadiazole
CID 90400228
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
3-(Methoxymethylsulfanyl)-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 150380361
3-(2-Methoxyethyl)-5-propan-2-yl-1,2,4-thiadiazole
CID 178845697
3-(Oxolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 62313084
5-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
3-ethyl-N-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65270906

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole (CID 155227232) is 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nc(C2CCOC2)ns1.
What is the InChIKey of 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is LNLISJXAENNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)9-10-8(11-13-9)7-3-4-12-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole?
3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 198.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 155227232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).