N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine

C14H21N3OS — CID 106570907

IUPACN-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1C(C)c1ccsc1
InChIInChI=1S/C14H21N3OS/c1-10-7-17(12(3)13-5-6-19-9-13)14(15-10)16-11(2)8-18-4/h5-7,9,11-12H,8H2,1-4H3,(H,15,16)
InChIKeyJFDMODHDJGXTPM-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.31
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine (PubChem CID 106570907) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine
PubChem CID106570907
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1C(C)c1ccsc1
InChIInChI=1S/C14H21N3OS/c1-10-7-17(12(3)13-5-6-19-9-13)14(15-10)16-11(2)8-18-4/h5-7,9,11-12H,8H2,1-4H3,(H,15,16)
InChIKeyJFDMODHDJGXTPM-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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Related Compounds

N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-[1-(3-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106566703
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567535
1-[1-(dimethylamino)propan-2-yl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106578638
1-hexan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106569750
1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106568882
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571808

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine (CID 106570907) is N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine is COCC(C)Nc1nc(C)cn1C(C)c1ccsc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine?
The InChIKey is JFDMODHDJGXTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-7-17(12(3)13-5-6-19-9-13)14(15-10)16-11(2)8-18-4/h5-7,9,11-12H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-4-methyl-1-(1-thiophen-3-ylethyl)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)-4-methyl-1-(1-thiophen-3-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106570907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).