N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide

C15H15FN2O2S — CID 46593861

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H15FN2O2S/c1-9(20-12-6-4-11(16)5-7-12)14(19)18-15-17-13(8-21-15)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,19)
InChIKeyCBVRBQRXXBFLKA-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.57
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide (PubChem CID 46593861) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide
PubChem CID46593861
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H15FN2O2S/c1-9(20-12-6-4-11(16)5-7-12)14(19)18-15-17-13(8-21-15)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,19)
InChIKeyCBVRBQRXXBFLKA-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide (CID 46593861) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is CBVRBQRXXBFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-9(20-12-6-4-11(16)5-7-12)14(19)18-15-17-13(8-21-15)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 306.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 46593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).