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

C21H16FN3O2S — CID 134044736

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H16FN3O2S/c22-17-6-2-1-5-16(17)19-9-7-15(27-19)8-10-20(26)25-21-24-18(13-28-21)14-4-3-11-23-12-14/h1-7,9,11-13H,8,10H2,(H,24,25,26)
InChIKeyXKLPQMSBXKKURS-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.18
Rot. Bonds6

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

3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 134044736) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID134044736
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H16FN3O2S/c22-17-6-2-1-5-16(17)19-9-7-15(27-19)8-10-20(26)25-21-24-18(13-28-21)14-4-3-11-23-12-14/h1-7,9,11-13H,8,10H2,(H,24,25,26)
InChIKeyXKLPQMSBXKKURS-UHFFFAOYSA-N
XLogP5.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 46667755
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120103
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 17465652
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
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CID 56761033
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32868629
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 134044736) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XKLPQMSBXKKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-17-6-2-1-5-16(17)19-9-7-15(27-19)8-10-20(26)25-21-24-18(13-28-21)14-4-3-11-23-12-14/h1-7,9,11-13H,8,10H2,(H,24,25,26).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 134044736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).