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

C15H17FN2O2S — CID 17468255

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H17FN2O2S/c1-3-8-17-15(19)14-10(2)18-13(21-14)9-20-12-6-4-11(16)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyOGQRXKPXCZGWSV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.31
Rot. Bonds6

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

2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 17468255) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID17468255
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H17FN2O2S/c1-3-8-17-15(19)14-10(2)18-13(21-14)9-20-12-6-4-11(16)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyOGQRXKPXCZGWSV-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 17468255) is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is OGQRXKPXCZGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-8-17-15(19)14-10(2)18-13(21-14)9-20-12-6-4-11(16)5-7-12/h4-7H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.31, 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-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17468255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).