N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide

C8H11FN4OS — CID 142758404

IUPACN'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide
SMILESNNN(C(=O)C=S)C1(F)C=CC=CC1N
InChIInChI=1S/C8H11FN4OS/c9-8(4-2-1-3-6(8)10)13(12-11)7(14)5-15/h1-6,12H,10-11H2
InChIKeyQHIUMFDPZZZBSH-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.69
Rot. Bonds3

About N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide

N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide (PubChem CID 142758404) has the molecular formula C8H11FN4OS and a molecular weight of 230.27 g/mol. Its IUPAC name is N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide.

Molecular Properties

Compound NameN'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide
PubChem CID142758404
Molecular FormulaC8H11FN4OS
Molecular Weight230.27 g/mol
Exact Mass230.06
IUPAC NameN'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide
SMILESNNN(C(=O)C=S)C1(F)C=CC=CC1N
InChIInChI=1S/C8H11FN4OS/c9-8(4-2-1-3-6(8)10)13(12-11)7(14)5-15/h1-6,12H,10-11H2
InChIKeyQHIUMFDPZZZBSH-UHFFFAOYSA-N
XLogP-0.69
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 172830707
CID 172830707
6-fluoro-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 151604141
6,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 150573434
6-amino-6-fluorocyclohexa-2,4-dien-1-ol
CID 69333479
1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 152748480
1-aminocyclohexa-3,5-diene-1,2-dicarbohydrazide
CID 66811964
6-fluoro-6-nitrocyclohexa-2,4-diene-1-carboxylic acid
CID 87391076
1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 152759950
methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
1-(1,6-diaminocyclohexa-2,4-dien-1-yl)oxyethanol
CID 67208919
6-fluoro-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 118142391
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide?
The IUPAC name of N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide (CID 142758404) is N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide.
What is the SMILES notation for N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide?
The canonical SMILES for N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide is NNN(C(=O)C=S)C1(F)C=CC=CC1N.
What is the InChIKey of N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide?
The InChIKey is QHIUMFDPZZZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4OS/c9-8(4-2-1-3-6(8)10)13(12-11)7(14)5-15/h1-6,12H,10-11H2.
What are the key properties of N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide?
N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide has a molecular weight of 230.27 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(6-amino-1-fluorocyclohexa-2,4-dien-1-yl)-2-sulfanylideneacetohydrazide is sourced from PubChem (CID 142758404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).