N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide

C14H13FN2O2S — CID 167449536

IUPACN-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCc2cnc(C)s2)c(F)c1
InChIInChI=1S/C14H13FN2O2S/c1-3-14(18)17-10-4-5-13(12(15)6-10)19-8-11-7-16-9(2)20-11/h3-7H,1,8H2,2H3,(H,17,18)
InChIKeyMQSPYSLLJWLYHB-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.29
Rot. Bonds5

About N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide

N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 167449536) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide
PubChem CID167449536
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC NameN-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCc2cnc(C)s2)c(F)c1
InChIInChI=1S/C14H13FN2O2S/c1-3-14(18)17-10-4-5-13(12(15)6-10)19-8-11-7-16-9(2)20-11/h3-7H,1,8H2,2H3,(H,17,18)
InChIKeyMQSPYSLLJWLYHB-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide (CID 167449536) is N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OCc2cnc(C)s2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide?
The InChIKey is MQSPYSLLJWLYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-3-14(18)17-10-4-5-13(12(15)6-10)19-8-11-7-16-9(2)20-11/h3-7H,1,8H2,2H3,(H,17,18).
What are the key properties of N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide?
N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 167449536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).