2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C14H15FN2O2S — CID 24712823

IUPAC2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(COc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-9(2)16-14(18)12-8-20-13(17-12)7-19-11-5-3-4-10(15)6-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyYZWKMWSTHRNZJA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.00
Rot. Bonds5

About 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 24712823) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID24712823
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(COc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-9(2)16-14(18)12-8-20-13(17-12)7-19-11-5-3-4-10(15)6-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyYZWKMWSTHRNZJA-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 24712823) is 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(COc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YZWKMWSTHRNZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9(2)16-14(18)12-8-20-13(17-12)7-19-11-5-3-4-10(15)6-11/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).