2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone

C19H18N6O2S — CID 135251791

IUPAC2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
SMILESCOCCn1cc(CC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C19H18N6O2S/c1-27-7-6-25-11-13(18(24-25)15-4-2-3-5-20-15)8-17(26)16-12-28-19(23-16)14-9-21-22-10-14/h2-5,9-12H,6-8H2,1H3,(H,21,22)
InChIKeyWXJBNTIFGZDMCP-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.86
Rot. Bonds8

About 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone

2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 135251791) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID135251791
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
SMILESCOCCn1cc(CC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C19H18N6O2S/c1-27-7-6-25-11-13(18(24-25)15-4-2-3-5-20-15)8-17(26)16-12-28-19(23-16)14-9-21-22-10-14/h2-5,9-12H,6-8H2,1H3,(H,21,22)
InChIKeyWXJBNTIFGZDMCP-UHFFFAOYSA-N
XLogP2.86
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638750
formic acid;N-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638719
formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
CID 158241921
N-[1-[(1R,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638714
N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638686
N-[1-(oxolan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638589
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
tert-butyl 3-[4-[[2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
CID 122644479
N-[1-[(1S,3R)-3-ethoxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid
CID 122638764
tris[[4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl] phosphate
CID 122638481

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone (CID 135251791) is 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone is COCCn1cc(CC(=O)c2csc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is WXJBNTIFGZDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-27-7-6-25-11-13(18(24-25)15-4-2-3-5-20-15)8-17(26)16-12-28-19(23-16)14-9-21-22-10-14/h2-5,9-12H,6-8H2,1H3,(H,21,22).
What are the key properties of 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone?
2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 394.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 135251791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).