[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

C17H26N6OS — CID 72840951

IUPAC[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2nccn2CCN(C)C)C1
InChIInChI=1S/C17H26N6OS/c1-4-14-15(25-20-19-14)17(24)23-8-5-6-13(12-23)16-18-7-9-22(16)11-10-21(2)3/h7,9,13H,4-6,8,10-12H2,1-3H3
InChIKeyYWDDUPWHBVLIQE-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.88
Rot. Bonds6

About [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 72840951) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID72840951
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2nccn2CCN(C)C)C1
InChIInChI=1S/C17H26N6OS/c1-4-14-15(25-20-19-14)17(24)23-8-5-6-13(12-23)16-18-7-9-22(16)11-10-21(2)3/h7,9,13H,4-6,8,10-12H2,1-3H3
InChIKeyYWDDUPWHBVLIQE-UHFFFAOYSA-N
XLogP1.88
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-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 [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 72840951) is [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCCC(c2nccn2CCN(C)C)C1.
What is the InChIKey of [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is YWDDUPWHBVLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-4-14-15(25-20-19-14)17(24)23-8-5-6-13(12-23)16-18-7-9-22(16)11-10-21(2)3/h7,9,13H,4-6,8,10-12H2,1-3H3.
What are the key properties of [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 362.50 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 72840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).