(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H10FN3OS — CID 126789307

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C9H10FN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-3-7(10)5-13/h3H,2,4-5H2,1H3
InChIKeyRYRJSXQSPTZXPK-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.55
Rot. Bonds1

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 126789307) has the molecular formula C9H10FN3OS and a molecular weight of 227.26 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID126789307
Molecular FormulaC9H10FN3OS
Molecular Weight227.26 g/mol
Exact Mass227.05
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C9H10FN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-3-7(10)5-13/h3H,2,4-5H2,1H3
InChIKeyRYRJSXQSPTZXPK-UHFFFAOYSA-N
XLogP1.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 126789307) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is RYRJSXQSPTZXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3OS/c1-6-8(15-12-11-6)9(14)13-4-2-3-7(10)5-13/h3H,2,4-5H2,1H3.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 227.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 126789307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).