N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide

C10H8F3N5OS2 — CID 79875358

IUPACN'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=NO)s1
InChIInChI=1S/C10H8F3N5OS2/c1-4-16-17-9(20-4)21-8-5(7(14)18-19)2-3-6(15-8)10(11,12)13/h2-3,19H,1H3,(H2,14,18)
InChIKeyBRZRVLWNBAEVNR-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.51
Rot. Bonds3

About N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide

N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79875358) has the molecular formula C10H8F3N5OS2 and a molecular weight of 335.34 g/mol. Its IUPAC name is N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79875358
Molecular FormulaC10H8F3N5OS2
Molecular Weight335.34 g/mol
Exact Mass335.01
IUPAC NameN'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESCc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=NO)s1
InChIInChI=1S/C10H8F3N5OS2/c1-4-16-17-9(20-4)21-8-5(7(14)18-19)2-3-6(15-8)10(11,12)13/h2-3,19H,1H3,(H2,14,18)
InChIKeyBRZRVLWNBAEVNR-UHFFFAOYSA-N
XLogP2.51
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79875358) is N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide is Cc1nnc(Sc2nc(C(F)(F)F)ccc2C(N)=NO)s1.
What is the InChIKey of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is BRZRVLWNBAEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5OS2/c1-4-16-17-9(20-4)21-8-5(7(14)18-19)2-3-6(15-8)10(11,12)13/h2-3,19H,1H3,(H2,14,18).
What are the key properties of N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 335.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79875358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).