1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide

C11H20N4OS — CID 107499731

IUPAC1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
SMILESCSCCC(C)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H20N4OS/c1-9(3-6-17-2)14-11(16)10-7-15(5-4-12)8-13-10/h7-9H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyILFUMUROGUEKKQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.71
Rot. Bonds7

About 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide (PubChem CID 107499731) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
PubChem CID107499731
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
SMILESCSCCC(C)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H20N4OS/c1-9(3-6-17-2)14-11(16)10-7-15(5-4-12)8-13-10/h7-9H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyILFUMUROGUEKKQ-UHFFFAOYSA-N
XLogP0.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
CID 107496824
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
CID 107497570
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942
1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
CID 106388320

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide (CID 107499731) is 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide is CSCCC(C)NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide?
The InChIKey is ILFUMUROGUEKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9(3-6-17-2)14-11(16)10-7-15(5-4-12)8-13-10/h7-9H,3-6,12H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107499731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).