2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide

C18H20N4O2S — CID 55734463

IUPAC2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)Cn3cccn3)cs2)cc1
InChIInChI=1S/C18H20N4O2S/c1-13(11-22-9-3-8-20-22)10-19-17(23)16-12-25-18(21-16)14-4-6-15(24-2)7-5-14/h3-9,12-13H,10-11H2,1-2H3,(H,19,23)
InChIKeyOJQMCIYFCGQKDN-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.08
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 55734463) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID55734463
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(C)Cn3cccn3)cs2)cc1
InChIInChI=1S/C18H20N4O2S/c1-13(11-22-9-3-8-20-22)10-19-17(23)16-12-25-18(21-16)14-4-6-15(24-2)7-5-14/h3-9,12-13H,10-11H2,1-2H3,(H,19,23)
InChIKeyOJQMCIYFCGQKDN-UHFFFAOYSA-N
XLogP3.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 51116196
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120650279
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111182229
N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 55734148
5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
CID 94809649
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51093509
N-(2-amino-2-ethylbutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119640344
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 60515248

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 55734463) is 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC(C)Cn3cccn3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OJQMCIYFCGQKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13(11-22-9-3-8-20-22)10-19-17(23)16-12-25-18(21-16)14-4-6-15(24-2)7-5-14/h3-9,12-13H,10-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).