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

C15H17N5OS2 — CID 86787131

IUPACN-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCc1cnc(CCN(C)C(=O)CSc2nnc3ccccn23)s1
InChIInChI=1S/C15H17N5OS2/c1-11-9-16-13(23-11)6-8-19(2)14(21)10-22-15-18-17-12-5-3-4-7-20(12)15/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeyDMNMXINNZKVFKH-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.29
Rot. Bonds6

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

N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 86787131) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID86787131
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC NameN-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCc1cnc(CCN(C)C(=O)CSc2nnc3ccccn23)s1
InChIInChI=1S/C15H17N5OS2/c1-11-9-16-13(23-11)6-8-19(2)14(21)10-22-15-18-17-12-5-3-4-7-20(12)15/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeyDMNMXINNZKVFKH-UHFFFAOYSA-N
XLogP2.29
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 86787131) is N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is Cc1cnc(CCN(C)C(=O)CSc2nnc3ccccn23)s1.
What is the InChIKey of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is DMNMXINNZKVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-11-9-16-13(23-11)6-8-19(2)14(21)10-22-15-18-17-12-5-3-4-7-20(12)15/h3-5,7,9H,6,8,10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 347.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 86787131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).