2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide

C24H23N5O3S — CID 55954553

IUPAC2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCc3cccc(NC(=O)Cn4cccn4)c3)cs2)cc1
InChIInChI=1S/C24H23N5O3S/c1-2-32-20-9-7-18(8-10-20)24-28-21(16-33-24)23(31)25-14-17-5-3-6-19(13-17)27-22(30)15-29-12-4-11-26-29/h3-13,16H,2,14-15H2,1H3,(H,25,31)(H,27,30)
InChIKeyGKVDYZKIVGFBIT-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.97
Rot. Bonds9

About 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55954553) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID55954553
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCc3cccc(NC(=O)Cn4cccn4)c3)cs2)cc1
InChIInChI=1S/C24H23N5O3S/c1-2-32-20-9-7-18(8-10-20)24-28-21(16-33-24)23(31)25-14-17-5-3-6-19(13-17)27-22(30)15-29-12-4-11-26-29/h3-13,16H,2,14-15H2,1H3,(H,25,31)(H,27,30)
InChIKeyGKVDYZKIVGFBIT-UHFFFAOYSA-N
XLogP3.97
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786
3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]prop-2-enamide
CID 55979369
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
N-[3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 110955024
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-(3-chlorophenyl)-4-methyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 55954545
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235
2-[(4-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39696626
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 55954553) is 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NCc3cccc(NC(=O)Cn4cccn4)c3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GKVDYZKIVGFBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-2-32-20-9-7-18(8-10-20)24-28-21(16-33-24)23(31)25-14-17-5-3-6-19(13-17)27-22(30)15-29-12-4-11-26-29/h3-13,16H,2,14-15H2,1H3,(H,25,31)(H,27,30).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55954553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).