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

C13H17N5OS — CID 52906707

IUPAC(4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C13H17N5OS/c1-10-12(20-16-15-10)13(19)17-7-3-11(4-8-17)9-18-6-2-5-14-18/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyBCAFKXMDOCKBCO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.60
Rot. Bonds3

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

(4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 52906707) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID52906707
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C13H17N5OS/c1-10-12(20-16-15-10)13(19)17-7-3-11(4-8-17)9-18-6-2-5-14-18/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyBCAFKXMDOCKBCO-UHFFFAOYSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 52906707) is (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BCAFKXMDOCKBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-10-12(20-16-15-10)13(19)17-7-3-11(4-8-17)9-18-6-2-5-14-18/h2,5-6,11H,3-4,7-9H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 52906707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).