N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide

C6H10N4OS2 — CID 2747628

IUPACN-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide
SMILESCCCSc1nnc(N=CNO)s1
InChIInChI=1S/C6H10N4OS2/c1-2-3-12-6-10-9-5(13-6)7-4-8-11/h4,11H,2-3H2,1H3,(H,7,8,9)
InChIKeyGPQASGCAMKADMQ-UHFFFAOYSA-N
MW218.31 g/mol
LogP1.68
Rot. Bonds5

About N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide

N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide (PubChem CID 2747628) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide
PubChem CID2747628
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC NameN-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide
SMILESCCCSc1nnc(N=CNO)s1
InChIInChI=1S/C6H10N4OS2/c1-2-3-12-6-10-9-5(13-6)7-4-8-11/h4,11H,2-3H2,1H3,(H,7,8,9)
InChIKeyGPQASGCAMKADMQ-UHFFFAOYSA-N
XLogP1.68
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-N-hydroxymethanimidamide
CID 2747629
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
1,1-dimethyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 91995911
(E)-3-(4-chlorophenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 19211888
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethanol
CID 4689343
4-(4-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218778
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383292
[1-[(4-phenylphenyl)methyl]-2,3-dihydroindol-5-yl]-[4-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]diazene
CID 118411186
4-(2-oxo-2-phenylacetyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 19226665
1-cyclohexyl-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 18578423
2-prop-2-enylsulfanyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 5190615

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide (CID 2747628) is N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide is CCCSc1nnc(N=CNO)s1.
What is the InChIKey of N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide?
The InChIKey is GPQASGCAMKADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-2-3-12-6-10-9-5(13-6)7-4-8-11/h4,11H,2-3H2,1H3,(H,7,8,9).
What are the key properties of N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide?
N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide has a molecular weight of 218.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)methanimidamide is sourced from PubChem (CID 2747628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).