2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide

C15H19N3O2S2 — CID 6210963

IUPAC2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)7-18-14(20)12(6-11-5-4-10(3)22-11)17-15(18)21-8-13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)/b12-6+
InChIKeyDPPICHPCCLMGBL-WUXMJOGZSA-N
MW337.47 g/mol
LogP2.47
Rot. Bonds5

About 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide

2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide (PubChem CID 6210963) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide
PubChem CID6210963
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)7-18-14(20)12(6-11-5-4-10(3)22-11)17-15(18)21-8-13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)/b12-6+
InChIKeyDPPICHPCCLMGBL-WUXMJOGZSA-N
XLogP2.47
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide (CID 6210963) is 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide is Cc1ccc(/C=C2/N=C(SCC(N)=O)N(CC(C)C)C2=O)s1.
What is the InChIKey of 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide?
The InChIKey is DPPICHPCCLMGBL-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-9(2)7-18-14(20)12(6-11-5-4-10(3)22-11)17-15(18)21-8-13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)/b12-6+.
What are the key properties of 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide?
2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide has a molecular weight of 337.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 6210963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).