N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine

C13H20N4OS — CID 106579737

IUPACN-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)c1ncc(C)s1
InChIInChI=1S/C13H20N4OS/c1-9(8-18-4)16-13-14-5-6-17(13)11(3)12-15-7-10(2)19-12/h5-7,9,11H,8H2,1-4H3,(H,14,16)
InChIKeyGPPXFMXDIQBJDA-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.70
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106579737) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106579737
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)c1ncc(C)s1
InChIInChI=1S/C13H20N4OS/c1-9(8-18-4)16-13-14-5-6-17(13)11(3)12-15-7-10(2)19-12/h5-7,9,11H,8H2,1-4H3,(H,14,16)
InChIKeyGPPXFMXDIQBJDA-UHFFFAOYSA-N
XLogP2.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106579865
N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
CID 106567986
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(1-methoxypropan-2-yl)-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106561999
N-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562209
N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567567
N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine
CID 106567227
2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582613
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115688389
4-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585473

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine (CID 106579737) is N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine is COCC(C)Nc1nccn1C(C)c1ncc(C)s1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is GPPXFMXDIQBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9(8-18-4)16-13-14-5-6-17(13)11(3)12-15-7-10(2)19-12/h5-7,9,11H,8H2,1-4H3,(H,14,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106579737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).