N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C14H19N5O2S — CID 138016927

IUPACN-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCN(CCc1nccs1)C(=O)C1CCc2n[nH]c(=O)n2C1
InChIInChI=1S/C14H19N5O2S/c1-2-18(7-5-12-15-6-8-22-12)13(20)10-3-4-11-16-17-14(21)19(11)9-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,21)
InChIKeyBEXHCUAFCCBTIU-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.68
Rot. Bonds5

About N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 138016927) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID138016927
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCN(CCc1nccs1)C(=O)C1CCc2n[nH]c(=O)n2C1
InChIInChI=1S/C14H19N5O2S/c1-2-18(7-5-12-15-6-8-22-12)13(20)10-3-4-11-16-17-14(21)19(11)9-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,21)
InChIKeyBEXHCUAFCCBTIU-UHFFFAOYSA-N
XLogP0.68
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 138016927) is N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCN(CCc1nccs1)C(=O)C1CCc2n[nH]c(=O)n2C1.
What is the InChIKey of N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is BEXHCUAFCCBTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-2-18(7-5-12-15-6-8-22-12)13(20)10-3-4-11-16-17-14(21)19(11)9-10/h6,8,10H,2-5,7,9H2,1H3,(H,17,21).
What are the key properties of N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 138016927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).