2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C15H15FN2O2S — CID 24624252

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H15FN2O2S/c1-3-8-17-15(19)14-10(2)18-13(21-14)9-20-12-6-4-11(16)5-7-12/h3-7H,1,8-9H2,2H3,(H,17,19)
InChIKeyYHKBRHLXCFJWPO-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.09
Rot. Bonds6

About 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 24624252) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID24624252
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H15FN2O2S/c1-3-8-17-15(19)14-10(2)18-13(21-14)9-20-12-6-4-11(16)5-7-12/h3-7H,1,8-9H2,2H3,(H,17,19)
InChIKeyYHKBRHLXCFJWPO-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 24624252) is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCNC(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is YHKBRHLXCFJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-3-8-17-15(19)14-10(2)18-13(21-14)9-20-12-6-4-11(16)5-7-12/h3-7H,1,8-9H2,2H3,(H,17,19).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24624252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).