4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine

C23H17FN4S2 — CID 134814050

IUPAC4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C23H17FN4S2/c1-14(27-28-23-26-20(13-29-23)15-6-9-17(24)10-7-15)16-8-11-22-19(12-16)25-18-4-2-3-5-21(18)30-22/h2-13,25H,1H3,(H,26,28)
InChIKeyKNUJYIPXCKWLLL-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.99
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 134814050) has the molecular formula C23H17FN4S2 and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID134814050
Molecular FormulaC23H17FN4S2
Molecular Weight432.55 g/mol
Exact Mass432.09
IUPAC Name4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C23H17FN4S2/c1-14(27-28-23-26-20(13-29-23)15-6-9-17(24)10-7-15)16-8-11-22-19(12-16)25-18-4-2-3-5-21(18)30-22/h2-13,25H,1H3,(H,26,28)
InChIKeyKNUJYIPXCKWLLL-UHFFFAOYSA-N
XLogP6.99
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 134814050) is 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine is CC(=NNc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KNUJYIPXCKWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4S2/c1-14(27-28-23-26-20(13-29-23)15-6-9-17(24)10-7-15)16-8-11-22-19(12-16)25-18-4-2-3-5-21(18)30-22/h2-13,25H,1H3,(H,26,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 432.55 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 134814050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).