4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

C18H16FN3O3S — CID 42208395

IUPAC4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccco1
InChIInChI=1S/C18H16FN3O3S/c19-13-5-3-12(4-6-13)17(24)22-18-21-14(11-26-18)7-8-16(23)20-10-15-2-1-9-25-15/h1-6,9,11H,7-8,10H2,(H,20,23)(H,21,22,24)
InChIKeyIUNZUWRGVGKADF-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.38
Rot. Bonds7

About 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42208395) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42208395
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccco1
InChIInChI=1S/C18H16FN3O3S/c19-13-5-3-12(4-6-13)17(24)22-18-21-14(11-26-18)7-8-16(23)20-10-15-2-1-9-25-15/h1-6,9,11H,7-8,10H2,(H,20,23)(H,21,22,24)
InChIKeyIUNZUWRGVGKADF-UHFFFAOYSA-N
XLogP3.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide 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 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide (CID 42208395) is 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccco1.
What is the InChIKey of 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is IUNZUWRGVGKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-13-5-3-12(4-6-13)17(24)22-18-21-14(11-26-18)7-8-16(23)20-10-15-2-1-9-25-15/h1-6,9,11H,7-8,10H2,(H,20,23)(H,21,22,24).
What are the key properties of 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42208395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).