N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C17H19N5OS — CID 51093509

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(CNC(=O)Cc1csc(-c2cccnc2)n1)Cn1cccn1
InChIInChI=1S/C17H19N5OS/c1-13(11-22-7-3-6-20-22)9-19-16(23)8-15-12-24-17(21-15)14-4-2-5-18-10-14/h2-7,10,12-13H,8-9,11H2,1H3,(H,19,23)
InChIKeyWQBFMEASYNMWFX-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.40
Rot. Bonds7

About N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51093509) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51093509
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(CNC(=O)Cc1csc(-c2cccnc2)n1)Cn1cccn1
InChIInChI=1S/C17H19N5OS/c1-13(11-22-7-3-6-20-22)9-19-16(23)8-15-12-24-17(21-15)14-4-2-5-18-10-14/h2-7,10,12-13H,8-9,11H2,1H3,(H,19,23)
InChIKeyWQBFMEASYNMWFX-UHFFFAOYSA-N
XLogP2.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 51116196
(2S)-4-methyl-2-[[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694359
3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 82032648
(2S,3S)-3-methyl-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 92942450
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
N-(1-piperidin-1-ylbutan-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 16674001
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 51093509) is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CC(CNC(=O)Cc1csc(-c2cccnc2)n1)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WQBFMEASYNMWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-13(11-22-7-3-6-20-22)9-19-16(23)8-15-12-24-17(21-15)14-4-2-5-18-10-14/h2-7,10,12-13H,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51093509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).