(4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C9H10F3N3OS — CID 126822619

IUPAC(4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC1C(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c1-5-7(17-14-13-5)8(16)15-4-2-3-6(15)9(10,11)12/h6H,2-4H2,1H3
InChIKeyAMAWCTKJOMWPDL-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.01
Rot. Bonds1

About (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 126822619) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID126822619
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name(4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCCC1C(F)(F)F
InChIInChI=1S/C9H10F3N3OS/c1-5-7(17-14-13-5)8(16)15-4-2-3-6(15)9(10,11)12/h6H,2-4H2,1H3
InChIKeyAMAWCTKJOMWPDL-UHFFFAOYSA-N
XLogP2.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 126822619) is (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCCC1C(F)(F)F.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AMAWCTKJOMWPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-5-7(17-14-13-5)8(16)15-4-2-3-6(15)9(10,11)12/h6H,2-4H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126822619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).