N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C15H19N5O3S2 — CID 24572744

IUPACN,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cc(C)no3)n2c1
InChIInChI=1S/C15H19N5O3S2/c1-4-19(5-2)25(21,22)13-6-7-14-16-17-15(20(14)9-13)24-10-12-8-11(3)18-23-12/h6-9H,4-5,10H2,1-3H3
InChIKeyMSZOTBRRTLRHLU-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.35
Rot. Bonds7

About N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 24572744) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID24572744
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC NameN,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cc(C)no3)n2c1
InChIInChI=1S/C15H19N5O3S2/c1-4-19(5-2)25(21,22)13-6-7-14-16-17-15(20(14)9-13)24-10-12-8-11(3)18-23-12/h6-9H,4-5,10H2,1-3H3
InChIKeyMSZOTBRRTLRHLU-UHFFFAOYSA-N
XLogP2.35
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 24572744) is N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cc(C)no3)n2c1.
What is the InChIKey of N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is MSZOTBRRTLRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-4-19(5-2)25(21,22)13-6-7-14-16-17-15(20(14)9-13)24-10-12-8-11(3)18-23-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 381.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 24572744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).