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

C16H15FN2O2S — CID 51240512

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NC1=NCCS1
InChIInChI=1S/C16H15FN2O2S/c17-13-4-2-1-3-12(13)14-7-5-11(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-5,7H,6,8-10H2,(H,18,19,20)
InChIKeyWCGWJQWGMQPSDU-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.24
Rot. Bonds4

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 51240512) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID51240512
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NC1=NCCS1
InChIInChI=1S/C16H15FN2O2S/c17-13-4-2-1-3-12(13)14-7-5-11(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-5,7H,6,8-10H2,(H,18,19,20)
InChIKeyWCGWJQWGMQPSDU-UHFFFAOYSA-N
XLogP3.24
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 51240512) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is WCGWJQWGMQPSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-13-4-2-1-3-12(13)14-7-5-11(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-5,7H,6,8-10H2,(H,18,19,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 318.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 51240512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).