[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea

C6H12N6O4S — CID 119098460

IUPAC[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea
SMILESNC(=O)N/N=C/C(O)SC(O)/C=N/NC(N)=O
InChIInChI=1S/C6H12N6O4S/c7-5(15)11-9-1-3(13)17-4(14)2-10-12-6(8)16/h1-4,13-14H,(H3,7,11,15)(H3,8,12,16)/b9-1+,10-2+
InChIKeyQPIUVVDQZVOZIF-UVEKSMONSA-N
MW264.27 g/mol
LogP-2.34
Rot. Bonds6

About [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea

[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea (PubChem CID 119098460) has the molecular formula C6H12N6O4S and a molecular weight of 264.27 g/mol. Its IUPAC name is [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea
PubChem CID119098460
Molecular FormulaC6H12N6O4S
Molecular Weight264.27 g/mol
Exact Mass264.06
IUPAC Name[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea
SMILESNC(=O)N/N=C/C(O)SC(O)/C=N/NC(N)=O
InChIInChI=1S/C6H12N6O4S/c7-5(15)11-9-1-3(13)17-4(14)2-10-12-6(8)16/h1-4,13-14H,(H3,7,11,15)(H3,8,12,16)/b9-1+,10-2+
InChIKeyQPIUVVDQZVOZIF-UVEKSMONSA-N
XLogP-2.34
TPSA175.42 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.27
LogP ≤ 5-2.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_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 [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea?
The IUPAC name of [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea (CID 119098460) is [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea.
What is the SMILES notation for [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea?
The canonical SMILES for [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea is NC(=O)N/N=C/C(O)SC(O)/C=N/NC(N)=O.
What is the InChIKey of [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea?
The InChIKey is QPIUVVDQZVOZIF-UVEKSMONSA-N. The full InChI is InChI=1S/C6H12N6O4S/c7-5(15)11-9-1-3(13)17-4(14)2-10-12-6(8)16/h1-4,13-14H,(H3,7,11,15)(H3,8,12,16)/b9-1+,10-2+.
What are the key properties of [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea?
[(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea has a molecular weight of 264.27 g/mol, XLogP of -2.34, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[2-[(2E)-2-(carbamoylhydrazinylidene)-1-hydroxyethyl]sulfanyl-2-hydroxyethylidene]amino]urea is sourced from PubChem (CID 119098460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).