(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C15H19N7OS — CID 126893719

IUPAC(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H19N7OS/c1-11-13(24-19-18-11)14(23)22-9-12(10-22)20-5-7-21(8-6-20)15-16-3-2-4-17-15/h2-4,12H,5-10H2,1H3
InChIKeyMCOLHBVKFIUNRL-UHFFFAOYSA-N
MW345.43 g/mol
LogP0.28
Rot. Bonds3

About (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126893719) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126893719
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H19N7OS/c1-11-13(24-19-18-11)14(23)22-9-12(10-22)20-5-7-21(8-6-20)15-16-3-2-4-17-15/h2-4,12H,5-10H2,1H3
InChIKeyMCOLHBVKFIUNRL-UHFFFAOYSA-N
XLogP0.28
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126893719) is (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is Cc1nnsc1C(=O)N1CC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is MCOLHBVKFIUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-11-13(24-19-18-11)14(23)22-9-12(10-22)20-5-7-21(8-6-20)15-16-3-2-4-17-15/h2-4,12H,5-10H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 345.43 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126893719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).