ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate

C19H20N4O4S — CID 46220738

IUPACethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)n(CCO)n1
InChIInChI=1S/C19H20N4O4S/c1-3-27-18(26)14-11-15(23(22-14)9-10-24)16-12(2)20-19(28-16)21-17(25)13-7-5-4-6-8-13/h4-8,11,24H,3,9-10H2,1-2H3,(H,20,21,25)
InChIKeyITQHMGDGZMNWDX-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.74
Rot. Bonds7

About ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate

ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate (PubChem CID 46220738) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate
PubChem CID46220738
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Nameethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)n(CCO)n1
InChIInChI=1S/C19H20N4O4S/c1-3-27-18(26)14-11-15(23(22-14)9-10-24)16-12(2)20-19(28-16)21-17(25)13-7-5-4-6-8-13/h4-8,11,24H,3,9-10H2,1-2H3,(H,20,21,25)
InChIKeyITQHMGDGZMNWDX-UHFFFAOYSA-N
XLogP2.74
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-Phenyl-4-piperidin-1-yl-thiazol-5-yl)-2H-pyrazole-3-carboxylic Acid Ethyl Ester
CID 10156751
2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
CID 1221829
ethyl 5-(4-morpholin-4-yl-2-phenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 10134622
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(4-bromophenyl)pyrazole-3-carboxylate
CID 46220736
1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649052
Ethyl 1-benzyl-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-5-carboxylate
CID 46220952
2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 652422
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate
CID 46220735
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylate
CID 46220737
N-[4-methyl-5-[3-(morpholine-4-carbonyl)-1-prop-2-enylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 46222033
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 46222032
5-(2-Benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylic acid
CID 46222253

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate (CID 46220738) is ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)n(CCO)n1.
What is the InChIKey of ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate?
The InChIKey is ITQHMGDGZMNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-27-18(26)14-11-15(23(22-14)9-10-24)16-12(2)20-19(28-16)21-17(25)13-7-5-4-6-8-13/h4-8,11,24H,3,9-10H2,1-2H3,(H,20,21,25).
What are the key properties of ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate?
ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 46220738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).