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

C18H15FN4O3S — CID 9359561

IUPACN-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccoc2C)cs1)c1ccccc1F
InChIInChI=1S/C18H15FN4O3S/c1-11-14(7-8-26-11)17(25)22-20-9-13-10-27-18(21-13)23(12(2)24)16-6-4-3-5-15(16)19/h3-10H,1-2H3,(H,22,25)/b20-9-
InChIKeyMXXNSGSZZLCRLR-UKWGHVSLSA-N
MW386.41 g/mol
LogP3.63
Rot. Bonds5

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

N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 9359561) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID9359561
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC NameN-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccoc2C)cs1)c1ccccc1F
InChIInChI=1S/C18H15FN4O3S/c1-11-14(7-8-26-11)17(25)22-20-9-13-10-27-18(21-13)23(12(2)24)16-6-4-3-5-15(16)19/h3-10H,1-2H3,(H,22,25)/b20-9-
InChIKeyMXXNSGSZZLCRLR-UKWGHVSLSA-N
XLogP3.63
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.63
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'}

Analyze N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide (CID 9359561) is N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide is CC(=O)N(c1nc(/C=N\NC(=O)c2ccoc2C)cs1)c1ccccc1F.
What is the InChIKey of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is MXXNSGSZZLCRLR-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-11-14(7-8-26-11)17(25)22-20-9-13-10-27-18(21-13)23(12(2)24)16-6-4-3-5-15(16)19/h3-10H,1-2H3,(H,22,25)/b20-9-.
What are the key properties of N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.63, 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-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 9359561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).