N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide

C15H13FN2O3S — CID 122143590

IUPACN-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide
SMILESCc1csc(Oc2ccc(NC(=O)C3CC(=O)C3)cc2F)n1
InChIInChI=1S/C15H13FN2O3S/c1-8-7-22-15(17-8)21-13-3-2-10(6-12(13)16)18-14(20)9-4-11(19)5-9/h2-3,6-7,9H,4-5H2,1H3,(H,18,20)
InChIKeyXWDYFOBUHNYLNJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.30
Rot. Bonds4

About N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide

N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide (PubChem CID 122143590) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide
PubChem CID122143590
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC NameN-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide
SMILESCc1csc(Oc2ccc(NC(=O)C3CC(=O)C3)cc2F)n1
InChIInChI=1S/C15H13FN2O3S/c1-8-7-22-15(17-8)21-13-3-2-10(6-12(13)16)18-14(20)9-4-11(19)5-9/h2-3,6-7,9H,4-5H2,1H3,(H,18,20)
InChIKeyXWDYFOBUHNYLNJ-UHFFFAOYSA-N
XLogP3.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide (CID 122143590) is N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide is Cc1csc(Oc2ccc(NC(=O)C3CC(=O)C3)cc2F)n1.
What is the InChIKey of N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is XWDYFOBUHNYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-8-7-22-15(17-8)21-13-3-2-10(6-12(13)16)18-14(20)9-4-11(19)5-9/h2-3,6-7,9H,4-5H2,1H3,(H,18,20).
What are the key properties of N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide?
N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 122143590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).