(4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C15H19N5O2S — CID 90558804

IUPAC(4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H19N5O2S/c1-2-4-12-13(23-19-18-12)14(21)20-9-5-11(6-10-20)22-15-16-7-3-8-17-15/h3,7-8,11H,2,4-6,9-10H2,1H3
InChIKeyVGCODEDYHFKQGV-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.96
Rot. Bonds5

About (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

(4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558804) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558804
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H19N5O2S/c1-2-4-12-13(23-19-18-12)14(21)20-9-5-11(6-10-20)22-15-16-7-3-8-17-15/h3,7-8,11H,2,4-6,9-10H2,1H3
InChIKeyVGCODEDYHFKQGV-UHFFFAOYSA-N
XLogP1.96
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 90558804) is (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is VGCODEDYHFKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-2-4-12-13(23-19-18-12)14(21)20-9-5-11(6-10-20)22-15-16-7-3-8-17-15/h3,7-8,11H,2,4-6,9-10H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 333.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).