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

C10H11N5OS2 — CID 137013908

IUPACN'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H11N5OS2/c1-5-3-7(9(11)15-16)4-8(12-5)18-10-14-13-6(2)17-10/h3-4,16H,1-2H3,(H2,11,15)
InChIKeySMLQYDHRDRVJJY-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.80
Rot. Bonds3

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

N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide (PubChem CID 137013908) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
PubChem CID137013908
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC NameN'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H11N5OS2/c1-5-3-7(9(11)15-16)4-8(12-5)18-10-14-13-6(2)17-10/h3-4,16H,1-2H3,(H2,11,15)
InChIKeySMLQYDHRDRVJJY-UHFFFAOYSA-N
XLogP1.80
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.80
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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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 112726054
2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013878
N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 137013924
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888
[2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80922686
N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917032
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886547
(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate
CID 5214173

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide (CID 137013908) is N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Sc2nnc(C)s2)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide?
The InChIKey is SMLQYDHRDRVJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-5-3-7(9(11)15-16)4-8(12-5)18-10-14-13-6(2)17-10/h3-4,16H,1-2H3,(H2,11,15).
What are the key properties of N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide has a molecular weight of 281.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide is sourced from PubChem (CID 137013908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).