2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

C20H19N5O2S — CID 18128574

IUPAC2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCCc3nnc4ccccn34)s2)cc1
InChIInChI=1S/C20H19N5O2S/c1-13-18(28-20(22-13)14-6-8-15(27-2)9-7-14)19(26)21-11-10-17-24-23-16-5-3-4-12-25(16)17/h3-9,12H,10-11H2,1-2H3,(H,21,26)
InChIKeyRXVIPVUKMAKQTH-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 18128574) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID18128574
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCCc3nnc4ccccn34)s2)cc1
InChIInChI=1S/C20H19N5O2S/c1-13-18(28-20(22-13)14-6-8-15(27-2)9-7-14)19(26)21-11-10-17-24-23-16-5-3-4-12-25(16)17/h3-9,12H,10-11H2,1-2H3,(H,21,26)
InChIKeyRXVIPVUKMAKQTH-UHFFFAOYSA-N
XLogP3.14
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 24595881
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CID 27161874
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 91947614
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
2-(2,5-dimethoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474337
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24660945
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17475495

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 18128574) is 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)NCCc3nnc4ccccn34)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RXVIPVUKMAKQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13-18(28-20(22-13)14-6-8-15(27-2)9-7-14)19(26)21-11-10-17-24-23-16-5-3-4-12-25(16)17/h3-9,12H,10-11H2,1-2H3,(H,21,26).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18128574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).