4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine

C15H12FN3OS — CID 71449400

IUPAC4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccco1
InChIInChI=1S/C15H12FN3OS/c1-10(14-3-2-8-20-14)18-19-15-17-13(9-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,17,19)/b18-10-
InChIKeyZKVXMCILPQIZAK-ZDLGFXPLSA-N
MW301.35 g/mol
LogP4.38
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71449400) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID71449400
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccco1
InChIInChI=1S/C15H12FN3OS/c1-10(14-3-2-8-20-14)18-19-15-17-13(9-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,17,19)/b18-10-
InChIKeyZKVXMCILPQIZAK-ZDLGFXPLSA-N
XLogP4.38
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'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-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 71449400) is 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc(F)cc2)cs1)c1ccco1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ZKVXMCILPQIZAK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-10(14-3-2-8-20-14)18-19-15-17-13(9-21-15)11-4-6-12(16)7-5-11/h2-9H,1H3,(H,17,19)/b18-10-.
What are the key properties of 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 301.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71449400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).