3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C19H19FN2O2S — CID 1095945

IUPAC3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3F)s2)o1
InChIInChI=1S/C19H19FN2O2S/c1-2-14-7-8-15(24-14)9-10-18(23)22-19-21-12-16(25-19)11-13-5-3-4-6-17(13)20/h3-8,12H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyQQKCLQFUBMMFAQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.60
Rot. Bonds7

About 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 1095945) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID1095945
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3F)s2)o1
InChIInChI=1S/C19H19FN2O2S/c1-2-14-7-8-15(24-14)9-10-18(23)22-19-21-12-16(25-19)11-13-5-3-4-6-17(13)20/h3-8,12H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyQQKCLQFUBMMFAQ-UHFFFAOYSA-N
XLogP4.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-Methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
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3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 1095945) is 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3F)s2)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is QQKCLQFUBMMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-2-14-7-8-15(24-14)9-10-18(23)22-19-21-12-16(25-19)11-13-5-3-4-6-17(13)20/h3-8,12H,2,9-11H2,1H3,(H,21,22,23).
What are the key properties of 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1095945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).