1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one

C11H16N2O2S — CID 105106943

IUPAC1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one
SMILESCc1nnsc1C(=O)CCCC1CCCO1
InChIInChI=1S/C11H16N2O2S/c1-8-11(16-13-12-8)10(14)6-2-4-9-5-3-7-15-9/h9H,2-7H2,1H3
InChIKeyQRUWMSRXNVZXTO-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one

1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 105106943) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one
PubChem CID105106943
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one
SMILESCc1nnsc1C(=O)CCCC1CCCO1
InChIInChI=1S/C11H16N2O2S/c1-8-11(16-13-12-8)10(14)6-2-4-9-5-3-7-15-9/h9H,2-7H2,1H3
InChIKeyQRUWMSRXNVZXTO-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one (CID 105106943) is 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one is Cc1nnsc1C(=O)CCCC1CCCO1.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is QRUWMSRXNVZXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-11(16-13-12-8)10(14)6-2-4-9-5-3-7-15-9/h9H,2-7H2,1H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one?
1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 240.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 105106943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).