4-(1,3-thiazol-2-yloxy)benzenecarboximidamide

C10H9N3OS — CID 57451678

IUPAC4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C10H9N3OS/c11-9(12)7-1-3-8(4-2-7)14-10-13-5-6-15-10/h1-6H,(H3,11,12)
InChIKeyHWDVYYKDXUPQOS-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.22
Rot. Bonds3

About 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide

4-(1,3-thiazol-2-yloxy)benzenecarboximidamide (PubChem CID 57451678) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
PubChem CID57451678
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name4-(1,3-thiazol-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C10H9N3OS/c11-9(12)7-1-3-8(4-2-7)14-10-13-5-6-15-10/h1-6H,(H3,11,12)
InChIKeyHWDVYYKDXUPQOS-UHFFFAOYSA-N
XLogP2.22
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.22
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'}

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Related Compounds

4-[2-(1,3-thiazol-2-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 61300986
4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 61218361
4-(1,3-thiazol-2-yloxy)benzene-1,2-diamine
CID 21482771
4-(1,3-thiazol-2-ylmethylamino)benzenecarboximidamide
CID 70094072
4-aminooxybenzenecarboximidamide
CID 10441869
7-methoxy-8-(1,3-thiazol-2-yloxy)naphthalene-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 74763901
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole
CID 173078203
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813695

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide?
The IUPAC name of 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide (CID 57451678) is 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide?
The InChIKey is HWDVYYKDXUPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-9(12)7-1-3-8(4-2-7)14-10-13-5-6-15-10/h1-6H,(H3,11,12).
What are the key properties of 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide?
4-(1,3-thiazol-2-yloxy)benzenecarboximidamide has a molecular weight of 219.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 57451678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).