2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide

C14H13F2N3O2S — CID 27396769

IUPAC2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C14H13F2N3O2S/c1-8(20)18-14-19-9(7-22-14)5-13(21)17-6-10-11(15)3-2-4-12(10)16/h2-4,7H,5-6H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyXPQZXPXYMOIMND-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide

2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide (PubChem CID 27396769) has the molecular formula C14H13F2N3O2S and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
PubChem CID27396769
Molecular FormulaC14H13F2N3O2S
Molecular Weight325.34 g/mol
Exact Mass325.07
IUPAC Name2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1
InChIInChI=1S/C14H13F2N3O2S/c1-8(20)18-14-19-9(7-22-14)5-13(21)17-6-10-11(15)3-2-4-12(10)16/h2-4,7H,5-6H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyXPQZXPXYMOIMND-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338936
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 47730257
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-[4-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17416159
methyl N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883817
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide (CID 27396769) is 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide is CC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1.
What is the InChIKey of 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide?
The InChIKey is XPQZXPXYMOIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2S/c1-8(20)18-14-19-9(7-22-14)5-13(21)17-6-10-11(15)3-2-4-12(10)16/h2-4,7H,5-6H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide?
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 27396769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).