(NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C9H12N4OS2 — CID 98152194

IUPAC(NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESNc1nnc(S[C@@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)s1
InChIInChI=1S/C9H12N4OS2/c10-8-11-12-9(16-8)15-7-5-2-1-4(3-5)6(7)13-14/h4-5,7,14H,1-3H2,(H2,10,11)/b13-6-/t4-,5+,7-/m0/s1
InChIKeyKYFDZLFAMJLBDD-BAWSRKKZSA-N
MW256.36 g/mol
LogP1.84
Rot. Bonds2

About (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 98152194) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID98152194
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name(NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESNc1nnc(S[C@@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)s1
InChIInChI=1S/C9H12N4OS2/c10-8-11-12-9(16-8)15-7-5-2-1-4(3-5)6(7)13-14/h4-5,7,14H,1-3H2,(H2,10,11)/b13-6-/t4-,5+,7-/m0/s1
InChIKeyKYFDZLFAMJLBDD-BAWSRKKZSA-N
XLogP1.84
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine with MolForge

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Related Compounds

(NE)-N-[(1S,3R,4R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 98156288
(NZ)-N-[(1S,3R,4S)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 98152531
(NE)-N-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclooctylidene]hydroxylamine
CID 40549322
(NE)-N-[(1S,3R,4S)-3-(1-phenyltetrazol-5-yl)sulfanyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 98156294
2-[[(1R,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]-1H-pyrimidin-6-one
CID 40543935
2-[[(1S,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]-1H-pyrimidin-6-one
CID 98152529
ethyl 2-[[(1S,2R,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]acetate
CID 98156203
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
CID 60714662
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-ol
CID 93317597
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]cycloheptan-1-ol
CID 176892176
5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
CID 144630869
(2R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 176892201

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 98152194) is (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is Nc1nnc(S[C@@H]2/C(=N\O)[C@H]3CC[C@@H]2C3)s1.
What is the InChIKey of (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is KYFDZLFAMJLBDD-BAWSRKKZSA-N. The full InChI is InChI=1S/C9H12N4OS2/c10-8-11-12-9(16-8)15-7-5-2-1-4(3-5)6(7)13-14/h4-5,7,14H,1-3H2,(H2,10,11)/b13-6-/t4-,5+,7-/m0/s1.
What are the key properties of (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 256.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,3S,4R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 98152194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).