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

C18H20N4OS — CID 51116196

IUPAC2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCC(C)Cn3cccn3)cs2)cc1
InChIInChI=1S/C18H20N4OS/c1-13-4-6-15(7-5-13)18-21-16(12-24-18)17(23)19-10-14(2)11-22-9-3-8-20-22/h3-9,12,14H,10-11H2,1-2H3,(H,19,23)
InChIKeyZGOFCAPGCHWLRD-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.38
Rot. Bonds6

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

2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 51116196) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID51116196
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCC(C)Cn3cccn3)cs2)cc1
InChIInChI=1S/C18H20N4OS/c1-13-4-6-15(7-5-13)18-21-16(12-24-18)17(23)19-10-14(2)11-22-9-3-8-20-22/h3-9,12,14H,10-11H2,1-2H3,(H,19,23)
InChIKeyZGOFCAPGCHWLRD-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 55734463
1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide
CID 94811626
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51093509
N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 55734148
2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 51091336
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
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-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 100755134
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 51116196) is 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCC(C)Cn3cccn3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZGOFCAPGCHWLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-4-6-15(7-5-13)18-21-16(12-24-18)17(23)19-10-14(2)11-22-9-3-8-20-22/h3-9,12,14H,10-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51116196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).