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

C17H14FN3O2S — CID 26411712

IUPACN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccnc2Oc2ccccc2F)cs1
InChIInChI=1S/C17H14FN3O2S/c1-11-21-14(10-24-11)16(22)20-9-12-5-4-8-19-17(12)23-15-7-3-2-6-13(15)18/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyRBYKDMYOTOZFOF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.71
Rot. Bonds5

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

N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 26411712) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID26411712
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccnc2Oc2ccccc2F)cs1
InChIInChI=1S/C17H14FN3O2S/c1-11-21-14(10-24-11)16(22)20-9-12-5-4-8-19-17(12)23-15-7-3-2-6-13(15)18/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyRBYKDMYOTOZFOF-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 26411712) is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cccnc2Oc2ccccc2F)cs1.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RBYKDMYOTOZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-11-21-14(10-24-11)16(22)20-9-12-5-4-8-19-17(12)23-15-7-3-2-6-13(15)18/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26411712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).