4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide

C10H10N4OS — CID 16773762

IUPAC4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C10H10N4OS/c11-9(14-15)7-3-1-6(2-4-7)8-5-16-10(12)13-8/h1-5,15H,(H2,11,14)(H2,12,13)
InChIKeyRYEKNFUNLUKXBZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.49
Rot. Bonds2

About 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide

4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 16773762) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID16773762
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C10H10N4OS/c11-9(14-15)7-3-1-6(2-4-7)8-5-16-10(12)13-8/h1-5,15H,(H2,11,14)(H2,12,13)
InChIKeyRYEKNFUNLUKXBZ-UHFFFAOYSA-N
XLogP1.49
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide (CID 16773762) is 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is RYEKNFUNLUKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-9(14-15)7-3-1-6(2-4-7)8-5-16-10(12)13-8/h1-5,15H,(H2,11,14)(H2,12,13).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide?
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 234.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 16773762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).