5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide

C4H4ClN3OS — CID 136917790

IUPAC5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide
SMILESN/C(=N/O)c1ncc(Cl)s1
InChIInChI=1S/C4H4ClN3OS/c5-2-1-7-4(10-2)3(6)8-9/h1,9H,(H2,6,8)
InChIKeyWUPPKXIGRDHXEB-UHFFFAOYSA-N
MW177.62 g/mol
LogP0.89
Rot. Bonds1

About 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide

5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide (PubChem CID 136917790) has the molecular formula C4H4ClN3OS and a molecular weight of 177.62 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide
PubChem CID136917790
Molecular FormulaC4H4ClN3OS
Molecular Weight177.62 g/mol
Exact Mass176.98
IUPAC Name5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide
SMILESN/C(=N/O)c1ncc(Cl)s1
InChIInChI=1S/C4H4ClN3OS/c5-2-1-7-4(10-2)3(6)8-9/h1,9H,(H2,6,8)
InChIKeyWUPPKXIGRDHXEB-UHFFFAOYSA-N
XLogP0.89
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.62
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide (CID 136917790) is 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide is N/C(=N/O)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide?
The InChIKey is WUPPKXIGRDHXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c5-2-1-7-4(10-2)3(6)8-9/h1,9H,(H2,6,8).
What are the key properties of 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide?
5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide has a molecular weight of 177.62 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide is sourced from PubChem (CID 136917790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).