(4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C14H19N5OS — CID 56778868

IUPAC(4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCCC1Cn1cccn1
InChIInChI=1S/C14H19N5OS/c1-2-12-13(21-17-16-12)14(20)19-9-4-3-6-11(19)10-18-8-5-7-15-18/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyPYWSSQMXTGEAFJ-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.99
Rot. Bonds4

About (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 56778868) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID56778868
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCCC1Cn1cccn1
InChIInChI=1S/C14H19N5OS/c1-2-12-13(21-17-16-12)14(20)19-9-4-3-6-11(19)10-18-8-5-7-15-18/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyPYWSSQMXTGEAFJ-UHFFFAOYSA-N
XLogP1.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 56778868) is (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCCC1Cn1cccn1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PYWSSQMXTGEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-12-13(21-17-16-12)14(20)19-9-4-3-6-11(19)10-18-8-5-7-15-18/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 305.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56778868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).