3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C16H13FN2O2S — CID 3155704

IUPAC3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1ccco1)Nc1nccs1
InChIInChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)13(14-2-1-8-21-14)10-15(20)19-16-18-7-9-22-16/h1-9,13H,10H2,(H,18,19,20)
InChIKeyMVLMVSXMSNTRNG-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.04
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3155704) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3155704
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1ccco1)Nc1nccs1
InChIInChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)13(14-2-1-8-21-14)10-15(20)19-16-18-7-9-22-16/h1-9,13H,10H2,(H,18,19,20)
InChIKeyMVLMVSXMSNTRNG-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 3155704) is 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CC(c1ccc(F)cc1)c1ccco1)Nc1nccs1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MVLMVSXMSNTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-5-3-11(4-6-12)13(14-2-1-8-21-14)10-15(20)19-16-18-7-9-22-16/h1-9,13H,10H2,(H,18,19,20).
What are the key properties of 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(furan-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3155704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).