cyclobutyl-(4-propylthiadiazol-5-yl)methanone

C10H14N2OS — CID 105133689

IUPACcyclobutyl-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)C1CCC1
InChIInChI=1S/C10H14N2OS/c1-2-4-8-10(14-12-11-8)9(13)7-5-3-6-7/h7H,2-6H2,1H3
InChIKeyFRWIWWBPPKVCTA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.47
Rot. Bonds4

About cyclobutyl-(4-propylthiadiazol-5-yl)methanone

cyclobutyl-(4-propylthiadiazol-5-yl)methanone (PubChem CID 105133689) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is cyclobutyl-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-propylthiadiazol-5-yl)methanone
PubChem CID105133689
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Namecyclobutyl-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)C1CCC1
InChIInChI=1S/C10H14N2OS/c1-2-4-8-10(14-12-11-8)9(13)7-5-3-6-7/h7H,2-6H2,1H3
InChIKeyFRWIWWBPPKVCTA-UHFFFAOYSA-N
XLogP2.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of cyclobutyl-(4-propylthiadiazol-5-yl)methanone (CID 105133689) is cyclobutyl-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for cyclobutyl-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for cyclobutyl-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is FRWIWWBPPKVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-4-8-10(14-12-11-8)9(13)7-5-3-6-7/h7H,2-6H2,1H3.
What are the key properties of cyclobutyl-(4-propylthiadiazol-5-yl)methanone?
cyclobutyl-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105133689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).