N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C14H20N4O2S — CID 120972145

IUPACN-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H20N4O2S/c1-17-9-7-15-14(17)16-11-12-3-5-13(6-4-12)18-8-2-10-21(18,19)20/h3-6H,2,7-11H2,1H3,(H,15,16)
InChIKeyGUCQWQLQKYKWGM-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.62
Rot. Bonds3

About N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120972145) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120972145
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H20N4O2S/c1-17-9-7-15-14(17)16-11-12-3-5-13(6-4-12)18-8-2-10-21(18,19)20/h3-6H,2,7-11H2,1H3,(H,15,16)
InChIKeyGUCQWQLQKYKWGM-UHFFFAOYSA-N
XLogP0.62
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine with MolForge

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Related Compounds

1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969584
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970551
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 166380566
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120972145) is N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is GUCQWQLQKYKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17-9-7-15-14(17)16-11-12-3-5-13(6-4-12)18-8-2-10-21(18,19)20/h3-6H,2,7-11H2,1H3,(H,15,16).
What are the key properties of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).