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

C21H21FN2O2S — CID 3147879

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
InChIInChI=1S/C21H21FN2O2S/c1-13-10-18(13)19-8-6-16(26-19)7-9-20(25)24-21-23-12-17(27-21)11-14-2-4-15(22)5-3-14/h2-6,8,12-13,18H,7,9-11H2,1H3,(H,23,24,25)
InChIKeyBEMPJOSAPOGKGI-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.16
Rot. Bonds7

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 3147879) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID3147879
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
InChIInChI=1S/C21H21FN2O2S/c1-13-10-18(13)19-8-6-16(26-19)7-9-20(25)24-21-23-12-17(27-21)11-14-2-4-15(22)5-3-14/h2-6,8,12-13,18H,7,9-11H2,1H3,(H,23,24,25)
InChIKeyBEMPJOSAPOGKGI-UHFFFAOYSA-N
XLogP5.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 3147879) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CC1CC1c1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is BEMPJOSAPOGKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-13-10-18(13)19-8-6-16(26-19)7-9-20(25)24-21-23-12-17(27-21)11-14-2-4-15(22)5-3-14/h2-6,8,12-13,18H,7,9-11H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 3147879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).