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

C11H13N5OS2 — CID 61177723

IUPACN'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H13N5OS2/c1-5-4-6(2)13-10(8(5)9(12)16-17)19-11-15-14-7(3)18-11/h4,17H,1-3H3,(H2,12,16)
InChIKeyQHSSALCHZXVXOZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.10
Rot. Bonds3

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

N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 61177723) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID61177723
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC NameN'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H13N5OS2/c1-5-4-6(2)13-10(8(5)9(12)16-17)19-11-15-14-7(3)18-11/h4,17H,1-3H3,(H2,12,16)
InChIKeyQHSSALCHZXVXOZ-UHFFFAOYSA-N
XLogP2.10
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.10
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-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (CID 61177723) is N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(Sc2nnc(C)s2)n1.
What is the InChIKey of N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is QHSSALCHZXVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-5-4-6(2)13-10(8(5)9(12)16-17)19-11-15-14-7(3)18-11/h4,17H,1-3H3,(H2,12,16).
What are the key properties of N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 295.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 61177723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).