4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol

C17H15ClN2OS — CID 828854

IUPAC4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
SMILESCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(O)cc1
InChIInChI=1S/C17H15ClN2OS/c1-2-20-16(12-3-5-13(18)6-4-12)11-22-17(20)19-14-7-9-15(21)10-8-14/h3-11,21H,2H2,1H3/b19-17-
InChIKeyAXLXCETVFZNQRI-ZPHPHTNESA-N
MW330.84 g/mol
LogP4.83
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol

4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol (PubChem CID 828854) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
PubChem CID828854
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol
SMILESCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(O)cc1
InChIInChI=1S/C17H15ClN2OS/c1-2-20-16(12-3-5-13(18)6-4-12)11-22-17(20)19-14-7-9-15(21)10-8-14/h3-11,21H,2H2,1H3/b19-17-
InChIKeyAXLXCETVFZNQRI-ZPHPHTNESA-N
XLogP4.83
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
The IUPAC name of 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol (CID 828854) is 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol is CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(O)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
The InChIKey is AXLXCETVFZNQRI-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-2-20-16(12-3-5-13(18)6-4-12)11-22-17(20)19-14-7-9-15(21)10-8-14/h3-11,21H,2H2,1H3/b19-17-.
What are the key properties of 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol?
4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol has a molecular weight of 330.84 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]phenol is sourced from PubChem (CID 828854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).