(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C7H10N4OS — CID 65244992

IUPAC(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC(N)C1
InChIInChI=1S/C7H10N4OS/c1-4-6(13-10-9-4)7(12)11-2-5(8)3-11/h5H,2-3,8H2,1H3
InChIKeyQOXKCLNMTBBUDJ-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.37
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 65244992) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID65244992
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CC(N)C1
InChIInChI=1S/C7H10N4OS/c1-4-6(13-10-9-4)7(12)11-2-5(8)3-11/h5H,2-3,8H2,1H3
InChIKeyQOXKCLNMTBBUDJ-UHFFFAOYSA-N
XLogP-0.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 65244992) is (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CC(N)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is QOXKCLNMTBBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-4-6(13-10-9-4)7(12)11-2-5(8)3-11/h5H,2-3,8H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 198.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65244992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).