N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H17N5O2S — CID 51130924

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2ccc3nnc(C)n3c2)n1
InChIInChI=1S/C19H17N5O2S/c1-3-26-16-7-5-4-6-14(16)15-11-27-19(20-15)21-18(25)13-8-9-17-23-22-12(2)24(17)10-13/h4-11H,3H2,1-2H3,(H,20,21,25)
InChIKeyUOEGDYBJFONDRO-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.81
Rot. Bonds5

About N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 51130924) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID51130924
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2ccc3nnc(C)n3c2)n1
InChIInChI=1S/C19H17N5O2S/c1-3-26-16-7-5-4-6-14(16)15-11-27-19(20-15)21-18(25)13-8-9-17-23-22-12(2)24(17)10-13/h4-11H,3H2,1-2H3,(H,20,21,25)
InChIKeyUOEGDYBJFONDRO-UHFFFAOYSA-N
XLogP3.81
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55895352
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 87041098
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 55677206
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 1477063
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 55895475

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 51130924) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCOc1ccccc1-c1csc(NC(=O)c2ccc3nnc(C)n3c2)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is UOEGDYBJFONDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-3-26-16-7-5-4-6-14(16)15-11-27-19(20-15)21-18(25)13-8-9-17-23-22-12(2)24(17)10-13/h4-11H,3H2,1-2H3,(H,20,21,25).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 51130924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).