N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide

C9H16N4OS2 — CID 2747629

IUPACN'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide
SMILESCCCCCCSc1nnc(N=CNO)s1
InChIInChI=1S/C9H16N4OS2/c1-2-3-4-5-6-15-9-13-12-8(16-9)10-7-11-14/h7,14H,2-6H2,1H3,(H,10,11,12)
InChIKeyKUQQNJSDPFSILG-UHFFFAOYSA-N
MW260.39 g/mol
LogP2.85
Rot. Bonds8

About N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide

N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide (PubChem CID 2747629) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide
PubChem CID2747629
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC NameN'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide
SMILESCCCCCCSc1nnc(N=CNO)s1
InChIInChI=1S/C9H16N4OS2/c1-2-3-4-5-6-15-9-13-12-8(16-9)10-7-11-14/h7,14H,2-6H2,1H3,(H,10,11,12)
InChIKeyKUQQNJSDPFSILG-UHFFFAOYSA-N
XLogP2.85
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide
CID 2747628
(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethanol
CID 4689343
N'-(4-heptylsulfanylphenyl)-N-hydroxymethanimidamide
CID 20763415
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]hexan-1-amine
CID 62577413
1-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 70619872
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 19228550
1-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3,3-trimethylurea
CID 54497622
5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
CID 60613691
2-butylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 154361514
5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241636
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)octanamide
CID 3492892

Frequently Asked Questions

What is the IUPAC name of N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide (CID 2747629) is N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide is CCCCCCSc1nnc(N=CNO)s1.
What is the InChIKey of N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide?
The InChIKey is KUQQNJSDPFSILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-2-3-4-5-6-15-9-13-12-8(16-9)10-7-11-14/h7,14H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide?
N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide has a molecular weight of 260.39 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide is sourced from PubChem (CID 2747629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).