N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine

C17H28N6S — CID 72863740

IUPACN,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine
SMILESCC(C)c1nnc(N2CCC(c3nccn3CCN(C)C)CC2)s1
InChIInChI=1S/C17H28N6S/c1-13(2)16-19-20-17(24-16)23-8-5-14(6-9-23)15-18-7-10-22(15)12-11-21(3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3
InChIKeyYZPITPXHBUESRL-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.80
Rot. Bonds6

About N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine (PubChem CID 72863740) has the molecular formula C17H28N6S and a molecular weight of 348.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine
PubChem CID72863740
Molecular FormulaC17H28N6S
Molecular Weight348.52 g/mol
Exact Mass348.21
IUPAC NameN,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine
SMILESCC(C)c1nnc(N2CCC(c3nccn3CCN(C)C)CC2)s1
InChIInChI=1S/C17H28N6S/c1-13(2)16-19-20-17(24-16)23-8-5-14(6-9-23)15-18-7-10-22(15)12-11-21(3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3
InChIKeyYZPITPXHBUESRL-UHFFFAOYSA-N
XLogP2.80
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine
CID 72936414
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448620
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
CID 72919298
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 97123595
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 72864352
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
(2S)-2-amino-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 72869616
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine (CID 72863740) is N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine is CC(C)c1nnc(N2CCC(c3nccn3CCN(C)C)CC2)s1.
What is the InChIKey of N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine?
The InChIKey is YZPITPXHBUESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6S/c1-13(2)16-19-20-17(24-16)23-8-5-14(6-9-23)15-18-7-10-22(15)12-11-21(3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine has a molecular weight of 348.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 72863740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).