N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C20H24ClN5OS — CID 17496559

IUPACN-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C
InChIInChI=1S/C20H24ClN5OS/c1-6-13-8-9-16(21)14(7-2)18(13)23-17(27)10-15-11(3)22-19-24-20(28-5)25-26(19)12(15)4/h8-9H,6-7,10H2,1-5H3,(H,23,27)
InChIKeyYCSLNDHNBSNRMJ-UHFFFAOYSA-N
MW417.97 g/mol
LogP4.42
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 17496559) has the molecular formula C20H24ClN5OS and a molecular weight of 417.97 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID17496559
Molecular FormulaC20H24ClN5OS
Molecular Weight417.97 g/mol
Exact Mass417.14
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C
InChIInChI=1S/C20H24ClN5OS/c1-6-13-8-9-16(21)14(7-2)18(13)23-17(27)10-15-11(3)22-19-24-20(28-5)25-26(19)12(15)4/h8-9H,6-7,10H2,1-5H3,(H,23,27)
InChIKeyYCSLNDHNBSNRMJ-UHFFFAOYSA-N
XLogP4.42
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498674
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-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78837351
N-(5-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9046544
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]acetamide
CID 37008347
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pyridin-2-ylacetamide
CID 18162398
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,5-dimethylphenyl)acetamide
CID 9042609
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylacetamide
CID 17411353
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455228
N-(3-chloro-2,6-diethylphenyl)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]butanamide
CID 2475357
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 34078153

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 17496559) is N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is CCc1ccc(Cl)c(CC)c1NC(=O)Cc1c(C)nc2nc(SC)nn2c1C.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is YCSLNDHNBSNRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5OS/c1-6-13-8-9-16(21)14(7-2)18(13)23-17(27)10-15-11(3)22-19-24-20(28-5)25-26(19)12(15)4/h8-9H,6-7,10H2,1-5H3,(H,23,27).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 417.97 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 17496559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).