2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C19H17N5OS — CID 39933181

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCc1nnc2ccccn12
InChIInChI=1S/C19H17N5OS/c25-18(20-12-17-23-22-16-8-4-5-9-24(16)17)11-15-13-26-19(21-15)10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,25)
InChIKeyUYLDBLUTYAXXQK-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.64
Rot. Bonds6

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 39933181) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID39933181
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCc1nnc2ccccn12
InChIInChI=1S/C19H17N5OS/c25-18(20-12-17-23-22-16-8-4-5-9-24(16)17)11-15-13-26-19(21-15)10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,25)
InChIKeyUYLDBLUTYAXXQK-UHFFFAOYSA-N
XLogP2.64
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38304679
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021114

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 39933181) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(Cc1csc(Cc2ccccc2)n1)NCc1nnc2ccccn12.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is UYLDBLUTYAXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c25-18(20-12-17-23-22-16-8-4-5-9-24(16)17)11-15-13-26-19(21-15)10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,25).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 363.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 39933181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).