2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C14H18N4O6S — CID 135426635

IUPAC2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1cccs1
InChIInChI=1S/C14H18N4O6S/c19-6-10(21)12(23)11(22)9(20)5-15-18-14-16-8(13(24)17-14)4-7-2-1-3-25-7/h1-5,9-12,19-23H,6H2,(H2,16,17,18,24)
InChIKeyMAGJUPNOVKSNDM-UHFFFAOYSA-N
MW370.39 g/mol
LogP-2.41
Rot. Bonds7

About 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135426635) has the molecular formula C14H18N4O6S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135426635
Molecular FormulaC14H18N4O6S
Molecular Weight370.39 g/mol
Exact Mass370.09
IUPAC Name2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1cccs1
InChIInChI=1S/C14H18N4O6S/c19-6-10(21)12(23)11(22)9(20)5-15-18-14-16-8(13(24)17-14)4-7-2-1-3-25-7/h1-5,9-12,19-23H,6H2,(H2,16,17,18,24)
InChIKeyMAGJUPNOVKSNDM-UHFFFAOYSA-N
XLogP-2.41
TPSA167.00 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 5-2.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 135426635) is 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1cccs1.
What is the InChIKey of 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is MAGJUPNOVKSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6S/c19-6-10(21)12(23)11(22)9(20)5-15-18-14-16-8(13(24)17-14)4-7-2-1-3-25-7/h1-5,9-12,19-23H,6H2,(H2,16,17,18,24).
What are the key properties of 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 370.39 g/mol, XLogP of -2.41, 7 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135426635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).