5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane

C18H32N4OS — CID 145093113

IUPAC5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane
SMILESCC.Cc1nc(-c2ccc(N)nc2)n(COCCS(C)(C)C)c1C
InChIInChI=1S/C16H26N4OS.C2H6/c1-12-13(2)20(11-21-8-9-22(3,4)5)16(19-12)14-6-7-15(17)18-10-14;1-2/h6-7,10H,8-9,11H2,1-5H3,(H2,17,18);1-2H3
InChIKeyRCNYYANHCLPQRF-UHFFFAOYSA-N
MW352.55 g/mol
LogP3.84
Rot. Bonds6

About 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane

5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane (PubChem CID 145093113) has the molecular formula C18H32N4OS and a molecular weight of 352.55 g/mol. Its IUPAC name is 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane
PubChem CID145093113
Molecular FormulaC18H32N4OS
Molecular Weight352.55 g/mol
Exact Mass352.23
IUPAC Name5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane
SMILESCC.Cc1nc(-c2ccc(N)nc2)n(COCCS(C)(C)C)c1C
InChIInChI=1S/C16H26N4OS.C2H6/c1-12-13(2)20(11-21-8-9-22(3,4)5)16(19-12)14-6-7-15(17)18-10-14;1-2/h6-7,10H,8-9,11H2,1-5H3,(H2,17,18);1-2H3
InChIKeyRCNYYANHCLPQRF-UHFFFAOYSA-N
XLogP3.84
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethoxy[({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]methanethione
CID 1279828
N-((8-methylimidazo[1,2-a]pyridin-2-yl)methyl)propane-1-sulfonamide
CID 3238358
Ethoxy[({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]methanethione
CID 4446749
Ethoxy[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]methanethione
CID 1507414
(E)-3-[2-tert-butyl-3-[[ethyl(3-methylsulfanylpropyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 24951582
1-Cyano-2-methyl-3-[2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethyl]guanidine
CID 12790143
8-Ethyl-3-methyl-7H,8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulen-6-one
CID 476258
2-(8-Methylimidazo(1,2-a)pyridin-2-yl)ethan-1-amine
CID 7061897
[6-(2-methyl-1H-imidazol-1-yl)pyridin-3-yl]methanamine
CID 16786119
5-(1-Methyl-1H-imidazol-5-yl)-2-pyridinamine
CID 57821741
1-[(7-Methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol
CID 511743
3-Ethylsulfanylmethyl-8-methyl-imidazo[1,2-a]pyridine
CID 511746

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane?
The IUPAC name of 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane (CID 145093113) is 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane?
The canonical SMILES for 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane is CC.Cc1nc(-c2ccc(N)nc2)n(COCCS(C)(C)C)c1C.
What is the InChIKey of 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane?
The InChIKey is RCNYYANHCLPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS.C2H6/c1-12-13(2)20(11-21-8-9-22(3,4)5)16(19-12)14-6-7-15(17)18-10-14;1-2/h6-7,10H,8-9,11H2,1-5H3,(H2,17,18);1-2H3.
What are the key properties of 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane?
5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane has a molecular weight of 352.55 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-dimethyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 145093113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).