3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H13FN2O2S — CID 17015017

IUPAC3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1nccs1
InChIInChI=1S/C16H13FN2O2S/c17-12-3-1-11(2-4-12)14-7-5-13(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-5,7,9-10H,6,8H2,(H,18,19,20)
InChIKeyRWMBPXWXMUBJLE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.11
Rot. Bonds5

About 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 17015017) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID17015017
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1nccs1
InChIInChI=1S/C16H13FN2O2S/c17-12-3-1-11(2-4-12)14-7-5-13(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-5,7,9-10H,6,8H2,(H,18,19,20)
InChIKeyRWMBPXWXMUBJLE-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 17015011
N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 22587363
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
CID 16950267
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836967
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3593088
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
3-(4-acetyl-5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 9243689
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 17015017) is 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1nccs1.
What is the InChIKey of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RWMBPXWXMUBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-3-1-11(2-4-12)14-7-5-13(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-5,7,9-10H,6,8H2,(H,18,19,20).
What are the key properties of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17015017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).