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

C17H26N6OS — CID 72926048

IUPAC[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1
InChIInChI=1S/C17H26N6OS/c1-4-14-15(25-20-19-14)17(24)23-8-5-13(6-9-23)16-18-7-10-22(16)12-11-21(2)3/h7,10,13H,4-6,8-9,11-12H2,1-3H3
InChIKeyWTNKCVIJJVCFTL-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.88
Rot. Bonds6

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

[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 72926048) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID72926048
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1
InChIInChI=1S/C17H26N6OS/c1-4-14-15(25-20-19-14)17(24)23-8-5-13(6-9-23)16-18-7-10-22(16)12-11-21(2)3/h7,10,13H,4-6,8-9,11-12H2,1-3H3
InChIKeyWTNKCVIJJVCFTL-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

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53609240
(4-Ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779782
(4-((2-ethyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 56724023
(4-methyl-1,2,3-thiadiazol-5-yl)(4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidin-1-yl)methanone
CID 71800868
N-[(1-propan-2-ylimidazol-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122568165
(3,5-Dimethyl-1,2-thiazol-4-yl)-(3-imidazol-1-yl-4-methylpiperidin-1-yl)methanone
CID 132344939
4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 128970968
4-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129005573
4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329984
4-ethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329985
4-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129331284
4-ethyl-N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129331285

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 72926048) is [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1.
What is the InChIKey of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is WTNKCVIJJVCFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-4-14-15(25-20-19-14)17(24)23-8-5-13(6-9-23)16-18-7-10-22(16)12-11-21(2)3/h7,10,13H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[4-[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 [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 72926048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).