(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one

C12H11N3OS2 — CID 95656033

IUPAC(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESNC1=N[C@@](Cc2cccs2)(c2cccs2)C(=O)N1
InChIInChI=1S/C12H11N3OS2/c13-11-14-10(16)12(15-11,9-4-2-6-18-9)7-8-3-1-5-17-8/h1-6H,7H2,(H3,13,14,15,16)/t12-/m0/s1
InChIKeyWDYZOIJONYUEJP-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds3

About (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one

(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (PubChem CID 95656033) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
PubChem CID95656033
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESNC1=N[C@@](Cc2cccs2)(c2cccs2)C(=O)N1
InChIInChI=1S/C12H11N3OS2/c13-11-14-10(16)12(15-11,9-4-2-6-18-9)7-8-3-1-5-17-8/h1-6H,7H2,(H3,13,14,15,16)/t12-/m0/s1
InChIKeyWDYZOIJONYUEJP-LBPRGKRZSA-N
XLogP1.69
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655809
(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655308
5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 82287581
(2R,3R,4S,5R)-2-[2-amino-6-hydroxy-6-(thiophen-2-ylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 149159379
(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 26469951
3-thiophen-2-yloxetan-3-amine
CID 83682056
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289
(3R)-3-phenylsulfanyl-3-(thiophen-2-ylmethyl)-1H-indol-2-one
CID 139040231
5-(2-pyridin-1-ium-4-ylethyl)-5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione chloride
CID 171151517
2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
CID 67182982
4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
CID 106953389
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (CID 95656033) is (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is NC1=N[C@@](Cc2cccs2)(c2cccs2)C(=O)N1.
What is the InChIKey of (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The InChIKey is WDYZOIJONYUEJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11N3OS2/c13-11-14-10(16)12(15-11,9-4-2-6-18-9)7-8-3-1-5-17-8/h1-6H,7H2,(H3,13,14,15,16)/t12-/m0/s1.
What are the key properties of (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one has a molecular weight of 277.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is sourced from PubChem (CID 95656033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).