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

C10H10N4OS2 — CID 43187791

IUPACN'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILESCc1csc(Sc2ncccc2/C(N)=N/O)n1
InChIInChI=1S/C10H10N4OS2/c1-6-5-16-10(13-6)17-9-7(8(11)14-15)3-2-4-12-9/h2-5,15H,1H3,(H2,11,14)
InChIKeyVRCDATQFTZWDHC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.09
Rot. Bonds3

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

N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 43187791) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID43187791
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC NameN'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
SMILESCc1csc(Sc2ncccc2/C(N)=N/O)n1
InChIInChI=1S/C10H10N4OS2/c1-6-5-16-10(13-6)17-9-7(8(11)14-15)3-2-4-12-9/h2-5,15H,1H3,(H2,11,14)
InChIKeyVRCDATQFTZWDHC-UHFFFAOYSA-N
XLogP2.09
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide (CID 43187791) is N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is Cc1csc(Sc2ncccc2/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is VRCDATQFTZWDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-6-5-16-10(13-6)17-9-7(8(11)14-15)3-2-4-12-9/h2-5,15H,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide?
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 266.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 43187791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).