N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine

C14H21N3OS — CID 106567986

IUPACN-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)c1ccc(C)s1
InChIInChI=1S/C14H21N3OS/c1-10(9-18-4)16-14-15-7-8-17(14)12(3)13-6-5-11(2)19-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)
InChIKeyISRCOMGRFVEUEJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.31
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine (PubChem CID 106567986) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
PubChem CID106567986
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)c1ccc(C)s1
InChIInChI=1S/C14H21N3OS/c1-10(9-18-4)16-14-15-7-8-17(14)12(3)13-6-5-11(2)19-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)
InChIKeyISRCOMGRFVEUEJ-UHFFFAOYSA-N
XLogP3.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine (CID 106567986) is N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine is COCC(C)Nc1nccn1C(C)c1ccc(C)s1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
The InChIKey is ISRCOMGRFVEUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(9-18-4)16-14-15-7-8-17(14)12(3)13-6-5-11(2)19-13/h5-8,10,12H,9H2,1-4H3,(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106567986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).