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

C15H11F2N3OS — CID 71453026

IUPAC4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1ccco1
InChIInChI=1S/C15H11F2N3OS/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-
InChIKeyZCGHDUAOSQHIEE-OCKHKDLRSA-N
MW319.34 g/mol
LogP4.52
Rot. Bonds4

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

4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71453026) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID71453026
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1ccco1
InChIInChI=1S/C15H11F2N3OS/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-
InChIKeyZCGHDUAOSQHIEE-OCKHKDLRSA-N
XLogP4.52
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.52
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-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 71453026) is 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1ccco1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ZCGHDUAOSQHIEE-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 319.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71453026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).