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

C18H17FN2O2S — CID 750965

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
InChIInChI=1S/C18H17FN2O2S/c1-12-2-7-15(23-12)8-9-17(22)21-18-20-11-16(24-18)10-13-3-5-14(19)6-4-13/h2-7,11H,8-10H2,1H3,(H,20,21,22)
InChIKeyWNSIDZCPIUTLLV-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.35
Rot. Bonds6

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 750965) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
PubChem CID750965
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1
InChIInChI=1S/C18H17FN2O2S/c1-12-2-7-15(23-12)8-9-17(22)21-18-20-11-16(24-18)10-13-3-5-14(19)6-4-13/h2-7,11H,8-10H2,1H3,(H,20,21,22)
InChIKeyWNSIDZCPIUTLLV-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.35
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-methylfuran-2-yl)propanamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide (CID 750965) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(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-methylfuran-2-yl)propanamide?
The InChIKey is WNSIDZCPIUTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12-2-7-15(23-12)8-9-17(22)21-18-20-11-16(24-18)10-13-3-5-14(19)6-4-13/h2-7,11H,8-10H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 4.35, 6 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-methylfuran-2-yl)propanamide is sourced from PubChem (CID 750965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).