N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide

C18H14F2N4O3S — CID 9359571

IUPACN-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccoc2C)cs1)c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N4O3S/c1-10-14(5-6-27-10)17(26)23-21-8-13-9-28-18(22-13)24(11(2)25)16-4-3-12(19)7-15(16)20/h3-9H,1-2H3,(H,23,26)/b21-8-
InChIKeySNISPRZJTGHUDC-WNFQYIGGSA-N
MW404.40 g/mol
LogP3.77
Rot. Bonds5

About N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 9359571) has the molecular formula C18H14F2N4O3S and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID9359571
Molecular FormulaC18H14F2N4O3S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC NameN-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccoc2C)cs1)c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N4O3S/c1-10-14(5-6-27-10)17(26)23-21-8-13-9-28-18(22-13)24(11(2)25)16-4-3-12(19)7-15(16)20/h3-9H,1-2H3,(H,23,26)/b21-8-
InChIKeySNISPRZJTGHUDC-WNFQYIGGSA-N
XLogP3.77
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
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 N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide (CID 9359571) is N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide is CC(=O)N(c1nc(/C=N\NC(=O)c2ccoc2C)cs1)c1ccc(F)cc1F.
What is the InChIKey of N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is SNISPRZJTGHUDC-WNFQYIGGSA-N. The full InChI is InChI=1S/C18H14F2N4O3S/c1-10-14(5-6-27-10)17(26)23-21-8-13-9-28-18(22-13)24(11(2)25)16-4-3-12(19)7-15(16)20/h3-9H,1-2H3,(H,23,26)/b21-8-.
What are the key properties of N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 9359571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).