(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate

C23H24N2O3S — CID 2408728

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-23(2,3)18-11-9-16(10-12-18)21(27)24-13-20(26)28-14-19-15-29-22(25-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,27)
InChIKeyWXIOSBYKKHXNCV-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.58
Rot. Bonds6

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 2408728) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID2408728
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-23(2,3)18-11-9-16(10-12-18)21(27)24-13-20(26)28-14-19-15-29-22(25-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,27)
InChIKeyWXIOSBYKKHXNCV-UHFFFAOYSA-N
XLogP4.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
CID 7783403
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884944
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 46559526
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885532
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7905830
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-bromobenzoyl)amino]acetate
CID 31272021

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate (CID 2408728) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate is CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is WXIOSBYKKHXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-23(2,3)18-11-9-16(10-12-18)21(27)24-13-20(26)28-14-19-15-29-22(25-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,27).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 408.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 2408728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).