4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol

C18H16N2OS — CID 716491

IUPAC4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(O)cc1
InChIInChI=1S/C18H16N2OS/c1-2-12-20-17(14-6-4-3-5-7-14)13-22-18(20)19-15-8-10-16(21)11-9-15/h2-11,13,21H,1,12H2/b19-18-
InChIKeyYURUQTAGDWBNTK-HNENSFHCSA-N
MW308.41 g/mol
LogP4.34
Rot. Bonds4

About 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol

4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol (PubChem CID 716491) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol.

Molecular Properties

Compound Name4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
PubChem CID716491
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(O)cc1
InChIInChI=1S/C18H16N2OS/c1-2-12-20-17(14-6-4-3-5-7-14)13-22-18(20)19-15-8-10-16(21)11-9-15/h2-11,13,21H,1,12H2/b19-18-
InChIKeyYURUQTAGDWBNTK-HNENSFHCSA-N
XLogP4.34
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
The IUPAC name of 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol (CID 716491) is 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol.
What is the SMILES notation for 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
The canonical SMILES for 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol is C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(O)cc1.
What is the InChIKey of 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
The InChIKey is YURUQTAGDWBNTK-HNENSFHCSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-2-12-20-17(14-6-4-3-5-7-14)13-22-18(20)19-15-8-10-16(21)11-9-15/h2-11,13,21H,1,12H2/b19-18-.
What are the key properties of 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol has a molecular weight of 308.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol is sourced from PubChem (CID 716491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).