1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine

C13H18N4S — CID 107783616

IUPAC1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Sc2ncc[nH]2)c(C)c1
InChIInChI=1S/C13H18N4S/c1-3-11(14)7-10-6-9(2)12(17-8-10)18-13-15-4-5-16-13/h4-6,8,11H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyKOKCYTBHLYBDCC-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.54
Rot. Bonds5

About 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine

1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine (PubChem CID 107783616) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
PubChem CID107783616
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Sc2ncc[nH]2)c(C)c1
InChIInChI=1S/C13H18N4S/c1-3-11(14)7-10-6-9(2)12(17-8-10)18-13-15-4-5-16-13/h4-6,8,11H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyKOKCYTBHLYBDCC-UHFFFAOYSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]butan-2-amine
CID 80650887
1-[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]butan-2-amine
CID 80644336
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
1-[3-chloro-2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114070513
5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80638929
5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine
CID 107779451
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 107783602
[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
CID 107783157
5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
CID 107779352
[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol
CID 107783398
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine (CID 107783616) is 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(Sc2ncc[nH]2)c(C)c1.
What is the InChIKey of 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine?
The InChIKey is KOKCYTBHLYBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-11(14)7-10-6-9(2)12(17-8-10)18-13-15-4-5-16-13/h4-6,8,11H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine?
1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 107783616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).