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

C14H9F2N3OS — CID 71460224

IUPAC4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3ccco3)n2)c(F)c1
InChIInChI=1S/C14H9F2N3OS/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)/b17-7-
InChIKeyIEGBJHLWSYMLHS-IDUWFGFVSA-N
MW305.31 g/mol
LogP4.13
Rot. Bonds4

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

4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71460224) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID71460224
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3ccco3)n2)c(F)c1
InChIInChI=1S/C14H9F2N3OS/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)/b17-7-
InChIKeyIEGBJHLWSYMLHS-IDUWFGFVSA-N
XLogP4.13
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.13
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)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 71460224) is 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(N/N=C\c3ccco3)n2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is IEGBJHLWSYMLHS-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)/b17-7-.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 305.31 g/mol, XLogP of 4.13, 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)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71460224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).