N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

C16H16ClN5O2S — CID 2302442

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C16H16ClN5O2S/c1-9-6-10(2)22-15(18-9)20-16(21-22)25-8-14(23)19-12-7-11(17)4-5-13(12)24-3/h4-7H,8H2,1-3H3,(H,19,23)
InChIKeyNYVNISGZYSTDNX-UHFFFAOYSA-N
MW377.86 g/mol
LogP3.13
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2302442) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2302442
Molecular FormulaC16H16ClN5O2S
Molecular Weight377.86 g/mol
Exact Mass377.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C16H16ClN5O2S/c1-9-6-10(2)22-15(18-9)20-16(21-22)25-8-14(23)19-12-7-11(17)4-5-13(12)24-3/h4-7H,8H2,1-3H3,(H,19,23)
InChIKeyNYVNISGZYSTDNX-UHFFFAOYSA-N
XLogP3.13
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093905
1-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (5-chloro-2-methoxy-phenyl)-amide
CID 648764
2-(4,6-dimethylpyrimidin-2-ylthio)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 815338
N-(2-chlorophenyl)-2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1157472
N-(3,5-dichloro-6-methylpyridin-2-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2089978
N-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308151
2-{[3-(2-Benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-B]pyridazin-6-YL]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 16019413
2-((5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl)thio)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 18575177
2-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 2146828
N-(5-chloro-2-methoxyphenyl)-2-({2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
CID 3511066
2-{[5,7-Dimethyl-6-(prop-2-EN-1-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL]sulfanyl}-N-(4-ethoxyphenyl)acetamide
CID 4277027
2-(5-Amino-8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 644698

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (CID 2302442) is N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is NYVNISGZYSTDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c1-9-6-10(2)22-15(18-9)20-16(21-22)25-8-14(23)19-12-7-11(17)4-5-13(12)24-3/h4-7H,8H2,1-3H3,(H,19,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 377.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2302442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).