N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide

C6H10N4OS2 — CID 60875612

IUPACN'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
SMILESCc1nnc(SCC/C(N)=N/O)s1
InChIInChI=1S/C6H10N4OS2/c1-4-8-9-6(13-4)12-3-2-5(7)10-11/h11H,2-3H2,1H3,(H2,7,10)
InChIKeyAOHOIJOWFDJYEO-UHFFFAOYSA-N
MW218.31 g/mol
LogP1.08
Rot. Bonds4

About N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide

N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide (PubChem CID 60875612) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
PubChem CID60875612
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC NameN'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
SMILESCc1nnc(SCC/C(N)=N/O)s1
InChIInChI=1S/C6H10N4OS2/c1-4-8-9-6(13-4)12-3-2-5(7)10-11/h11H,2-3H2,1H3,(H2,7,10)
InChIKeyAOHOIJOWFDJYEO-UHFFFAOYSA-N
XLogP1.08
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 51.08
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide
CID 17052825
2-methyl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 135334487
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 77062476
N-carbamoyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 47135642
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63034349
2-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63033445
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-2-amine
CID 64648507
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 76999861
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 714643
N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
CID 62577417
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 70428933

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide (CID 60875612) is N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide is Cc1nnc(SCC/C(N)=N/O)s1.
What is the InChIKey of N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
The InChIKey is AOHOIJOWFDJYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-4-8-9-6(13-4)12-3-2-5(7)10-11/h11H,2-3H2,1H3,(H2,7,10).
What are the key properties of N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide?
N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide has a molecular weight of 218.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide is sourced from PubChem (CID 60875612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).