(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H21N5O3S — CID 126423085

IUPAC(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1
InChIInChI=1S/C15H21N5O3S/c1-18-15(22)20-9-11(3-4-12(20)17-18)14(21)19(6-7-23-2)10-13-16-5-8-24-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyAZYIJAKTGPGYHN-NSHDSACASA-N
MW351.43 g/mol
LogP0.28
Rot. Bonds6

About (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 126423085) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID126423085
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1
InChIInChI=1S/C15H21N5O3S/c1-18-15(22)20-9-11(3-4-12(20)17-18)14(21)19(6-7-23-2)10-13-16-5-8-24-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-/m0/s1
InChIKeyAZYIJAKTGPGYHN-NSHDSACASA-N
XLogP0.28
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[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 (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 126423085) is (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCN(Cc1nccs1)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1.
What is the InChIKey of (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is AZYIJAKTGPGYHN-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-18-15(22)20-9-11(3-4-12(20)17-18)14(21)19(6-7-23-2)10-13-16-5-8-24-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 126423085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).