3-(5H-1,3-thiazol-2-ylideneamino)phenol

C9H8N2OS — CID 70607233

IUPAC3-(5H-1,3-thiazol-2-ylideneamino)phenol
SMILESOc1cccc(/N=C2\N=CCS2)c1
InChIInChI=1S/C9H8N2OS/c12-8-3-1-2-7(6-8)11-9-10-4-5-13-9/h1-4,6,12H,5H2/b11-9+
InChIKeyGDNZWZQPNJCHAI-PKNBQFBNSA-N
MW192.24 g/mol
LogP2.20
Rot. Bonds1

About 3-(5H-1,3-thiazol-2-ylideneamino)phenol

3-(5H-1,3-thiazol-2-ylideneamino)phenol (PubChem CID 70607233) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(5H-1,3-thiazol-2-ylideneamino)phenol.

Molecular Properties

Compound Name3-(5H-1,3-thiazol-2-ylideneamino)phenol
PubChem CID70607233
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(5H-1,3-thiazol-2-ylideneamino)phenol
SMILESOc1cccc(/N=C2\N=CCS2)c1
InChIInChI=1S/C9H8N2OS/c12-8-3-1-2-7(6-8)11-9-10-4-5-13-9/h1-4,6,12H,5H2/b11-9+
InChIKeyGDNZWZQPNJCHAI-PKNBQFBNSA-N
XLogP2.20
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5H-1,3-thiazol-2-ylideneamino)phenol?
The IUPAC name of 3-(5H-1,3-thiazol-2-ylideneamino)phenol (CID 70607233) is 3-(5H-1,3-thiazol-2-ylideneamino)phenol.
What is the SMILES notation for 3-(5H-1,3-thiazol-2-ylideneamino)phenol?
The canonical SMILES for 3-(5H-1,3-thiazol-2-ylideneamino)phenol is Oc1cccc(/N=C2\N=CCS2)c1.
What is the InChIKey of 3-(5H-1,3-thiazol-2-ylideneamino)phenol?
The InChIKey is GDNZWZQPNJCHAI-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8-3-1-2-7(6-8)11-9-10-4-5-13-9/h1-4,6,12H,5H2/b11-9+.
What are the key properties of 3-(5H-1,3-thiazol-2-ylideneamino)phenol?
3-(5H-1,3-thiazol-2-ylideneamino)phenol has a molecular weight of 192.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-1,3-thiazol-2-ylideneamino)phenol is sourced from PubChem (CID 70607233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).