[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C17H25N5OS — CID 56724023

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cn2ccnc2CC)CC1
InChIInChI=1S/C17H25N5OS/c1-3-5-14-16(24-20-19-14)17(23)21-9-6-13(7-10-21)12-22-11-8-18-15(22)4-2/h8,11,13H,3-7,9-10,12H2,1-2H3
InChIKeyJXFNUSJULOMJTH-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.80
Rot. Bonds6

About [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 56724023) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID56724023
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cn2ccnc2CC)CC1
InChIInChI=1S/C17H25N5OS/c1-3-5-14-16(24-20-19-14)17(23)21-9-6-13(7-10-21)12-22-11-8-18-15(22)4-2/h8,11,13H,3-7,9-10,12H2,1-2H3
InChIKeyJXFNUSJULOMJTH-UHFFFAOYSA-N
XLogP2.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 56724023) is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Cn2ccnc2CC)CC1.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is JXFNUSJULOMJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-5-14-16(24-20-19-14)17(23)21-9-6-13(7-10-21)12-22-11-8-18-15(22)4-2/h8,11,13H,3-7,9-10,12H2,1-2H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 347.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 56724023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).