(4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

C16H23N5OS — CID 56779782

IUPAC(4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C16H23N5OS/c1-4-13-14(23-19-18-13)16(22)20-8-5-6-12(10-20)21-9-7-17-15(21)11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3
InChIKeyQZPZRYDYDQWGAG-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.90
Rot. Bonds4

About (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56779782) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID56779782
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name(4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C16H23N5OS/c1-4-13-14(23-19-18-13)16(22)20-8-5-6-12(10-20)21-9-7-17-15(21)11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3
InChIKeyQZPZRYDYDQWGAG-UHFFFAOYSA-N
XLogP2.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (CID 56779782) is (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCC(n2ccnc2C(C)C)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is QZPZRYDYDQWGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-13-14(23-19-18-13)16(22)20-8-5-6-12(10-20)21-9-7-17-15(21)11(2)3/h7,9,11-12H,4-6,8,10H2,1-3H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 333.46 g/mol, XLogP of 2.90, 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)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56779782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).