2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide

C18H15F2N3O2S — CID 121122099

IUPAC2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2S/c1-11-16(26-18(23-11)12-3-2-6-21-8-12)9-22-17(24)10-25-15-5-4-13(19)7-14(15)20/h2-8H,9-10H2,1H3,(H,22,24)
InChIKeyWBVJEAPOQALJEC-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.49
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide

2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 121122099) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID121122099
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC Name2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O2S/c1-11-16(26-18(23-11)12-3-2-6-21-8-12)9-22-17(24)10-25-15-5-4-13(19)7-14(15)20/h2-8H,9-10H2,1H3,(H,22,24)
InChIKeyWBVJEAPOQALJEC-UHFFFAOYSA-N
XLogP3.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122101
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122269
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
CID 121122040
2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770965
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546349
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide (CID 121122099) is 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(-c2cccnc2)sc1CNC(=O)COc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is WBVJEAPOQALJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c1-11-16(26-18(23-11)12-3-2-6-21-8-12)9-22-17(24)10-25-15-5-4-13(19)7-14(15)20/h2-8H,9-10H2,1H3,(H,22,24).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 121122099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).