N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C19H16ClN5OS — CID 50749937

IUPACN-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H16ClN5OS/c1-11-13(10-17(26)22-15-7-4-3-6-14(15)20)12(2)25-19(21-11)23-18(24-25)16-8-5-9-27-16/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyXNJYFGWGGXQRMM-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.30
Rot. Bonds4

About N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 50749937) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID50749937
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC NameN-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H16ClN5OS/c1-11-13(10-17(26)22-15-7-4-3-6-14(15)20)12(2)25-19(21-11)23-18(24-25)16-8-5-9-27-16/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyXNJYFGWGGXQRMM-UHFFFAOYSA-N
XLogP4.30
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749968
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750027
2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethylphenyl)acetamide
CID 50749953
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 50750287
2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethylphenyl)acetamide
CID 50750323
N-benzyl-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 50750178
N-(3-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498993
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 50750115
N-(2,5-dichlorophenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498674
2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide
CID 50749964
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
N-(5-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9046544

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 50749937) is N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is XNJYFGWGGXQRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-11-13(10-17(26)22-15-7-4-3-6-14(15)20)12(2)25-19(21-11)23-18(24-25)16-8-5-9-27-16/h3-9H,10H2,1-2H3,(H,22,26).
What are the key properties of N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 397.89 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50749937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).