N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C17H11F2N5OS2 — CID 7888834

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C17H11F2N5OS2/c18-10-4-5-12(19)11(7-10)13-8-26-16(20-13)21-15(25)9-27-17-23-22-14-3-1-2-6-24(14)17/h1-8H,9H2,(H,20,21,25)
InChIKeyCLKWTPAZYTXHAT-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 7888834) has the molecular formula C17H11F2N5OS2 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID7888834
Molecular FormulaC17H11F2N5OS2
Molecular Weight403.44 g/mol
Exact Mass403.04
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C17H11F2N5OS2/c18-10-4-5-12(19)11(7-10)13-8-26-16(20-13)21-15(25)9-27-17-23-22-14-3-1-2-6-24(14)17/h1-8H,9H2,(H,20,21,25)
InChIKeyCLKWTPAZYTXHAT-UHFFFAOYSA-N
XLogP3.86
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16529731
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 30398691
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 42970950
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 34518213
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 134030412
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576708
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
(2S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 41000997
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55630384

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 7888834) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is O=C(CSc1nnc2ccccn12)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is CLKWTPAZYTXHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5OS2/c18-10-4-5-12(19)11(7-10)13-8-26-16(20-13)21-15(25)9-27-17-23-22-14-3-1-2-6-24(14)17/h1-8H,9H2,(H,20,21,25).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 7888834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).