4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide

C10H8ClN3OS2 — CID 76984895

IUPAC4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1Sc1nccs1
InChIInChI=1S/C10H8ClN3OS2/c11-6-1-2-7(9(12)14-15)8(5-6)17-10-13-3-4-16-10/h1-5,15H,(H2,12,14)
InChIKeyYHNDNSSHUKZDJI-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 76984895) has the molecular formula C10H8ClN3OS2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID76984895
Molecular FormulaC10H8ClN3OS2
Molecular Weight285.78 g/mol
Exact Mass284.98
IUPAC Name4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(Cl)cc1Sc1nccs1
InChIInChI=1S/C10H8ClN3OS2/c11-6-1-2-7(9(12)14-15)8(5-6)17-10-13-3-4-16-10/h1-5,15H,(H2,12,14)
InChIKeyYHNDNSSHUKZDJI-UHFFFAOYSA-N
XLogP3.04
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide (CID 76984895) is 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide is NC(=NO)c1ccc(Cl)cc1Sc1nccs1.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is YHNDNSSHUKZDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS2/c11-6-1-2-7(9(12)14-15)8(5-6)17-10-13-3-4-16-10/h1-5,15H,(H2,12,14).
What are the key properties of 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 285.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 76984895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).