3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol

C19H18FN3OS — CID 23765995

IUPAC3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCC(C)/N=c1\scc(-c2ccccc2F)n1N=Cc1cccc(O)c1
InChIInChI=1S/C19H18FN3OS/c1-13(2)22-19-23(21-11-14-6-5-7-15(24)10-14)18(12-25-19)16-8-3-4-9-17(16)20/h3-13,24H,1-2H3/b21-11?,22-19-
InChIKeyNFCPYZJYOMBTEO-HUPRDVGDSA-N
MW355.44 g/mol
LogP4.25
Rot. Bonds4

About 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol

3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 23765995) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID23765995
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESCC(C)/N=c1\scc(-c2ccccc2F)n1N=Cc1cccc(O)c1
InChIInChI=1S/C19H18FN3OS/c1-13(2)22-19-23(21-11-14-6-5-7-15(24)10-14)18(12-25-19)16-8-3-4-9-17(16)20/h3-13,24H,1-2H3/b21-11?,22-19-
InChIKeyNFCPYZJYOMBTEO-HUPRDVGDSA-N
XLogP4.25
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol (CID 23765995) is 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol is CC(C)/N=c1\scc(-c2ccccc2F)n1N=Cc1cccc(O)c1.
What is the InChIKey of 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is NFCPYZJYOMBTEO-HUPRDVGDSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13(2)22-19-23(21-11-14-6-5-7-15(24)10-14)18(12-25-19)16-8-3-4-9-17(16)20/h3-13,24H,1-2H3/b21-11?,22-19-.
What are the key properties of 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol?
3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 355.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 23765995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).