3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol

C19H18N2OS — CID 2131748

IUPAC3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
SMILESC=CCn1c(-c2ccccc2)c(C)s/c1=N\c1cccc(O)c1
InChIInChI=1S/C19H18N2OS/c1-3-12-21-18(15-8-5-4-6-9-15)14(2)23-19(21)20-16-10-7-11-17(22)13-16/h3-11,13,22H,1,12H2,2H3/b20-19-
InChIKeyVIBBXKBXPKHQQI-VXPUYCOJSA-N
MW322.43 g/mol
LogP4.65
Rot. Bonds4

About 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol

3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol (PubChem CID 2131748) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol.

Molecular Properties

Compound Name3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
PubChem CID2131748
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
SMILESC=CCn1c(-c2ccccc2)c(C)s/c1=N\c1cccc(O)c1
InChIInChI=1S/C19H18N2OS/c1-3-12-21-18(15-8-5-4-6-9-15)14(2)23-19(21)20-16-10-7-11-17(22)13-16/h3-11,13,22H,1,12H2,2H3/b20-19-
InChIKeyVIBBXKBXPKHQQI-VXPUYCOJSA-N
XLogP4.65
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.65
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 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
The IUPAC name of 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol (CID 2131748) is 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol.
What is the SMILES notation for 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
The canonical SMILES for 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol is C=CCn1c(-c2ccccc2)c(C)s/c1=N\c1cccc(O)c1.
What is the InChIKey of 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
The InChIKey is VIBBXKBXPKHQQI-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-3-12-21-18(15-8-5-4-6-9-15)14(2)23-19(21)20-16-10-7-11-17(22)13-16/h3-11,13,22H,1,12H2,2H3/b20-19-.
What are the key properties of 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol?
3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol has a molecular weight of 322.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol is sourced from PubChem (CID 2131748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).