2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide

C13H11ClFN3O2S — CID 51258049

IUPAC2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2S/c14-9-2-1-3-10(15)8(9)5-12(20)18-13-17-7(6-21-13)4-11(16)19/h1-3,6H,4-5H2,(H2,16,19)(H,17,18,20)
InChIKeyYGTVWAFZHVKKIK-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide

2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide (PubChem CID 51258049) has the molecular formula C13H11ClFN3O2S and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
PubChem CID51258049
Molecular FormulaC13H11ClFN3O2S
Molecular Weight327.77 g/mol
Exact Mass327.02
IUPAC Name2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2S/c14-9-2-1-3-10(15)8(9)5-12(20)18-13-17-7(6-21-13)4-11(16)19/h1-3,6H,4-5H2,(H2,16,19)(H,17,18,20)
InChIKeyYGTVWAFZHVKKIK-UHFFFAOYSA-N
XLogP2.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4800248
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 2471351
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27993119
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 124878936

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide (CID 51258049) is 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1csc(NC(=O)Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YGTVWAFZHVKKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2S/c14-9-2-1-3-10(15)8(9)5-12(20)18-13-17-7(6-21-13)4-11(16)19/h1-3,6H,4-5H2,(H2,16,19)(H,17,18,20).
What are the key properties of 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 327.77 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51258049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).