N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide

C26H22BrN3O4S — CID 167952715

IUPACN-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Br)cc1-c1ncc(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)s1
InChIInChI=1S/C26H22BrN3O4S/c1-33-22-11-8-19(27)12-21(22)26-30-14-23(35-26)25(32)29-13-16-2-4-17(5-3-16)18-6-9-20(10-7-18)34-15-24(28)31/h2-12,14H,13,15H2,1H3,(H2,28,31)(H,29,32)
InChIKeyUYCUWAOEDREGLN-UHFFFAOYSA-N
MW552.45 g/mol
LogP5.04
Rot. Bonds9

About N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide

N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 167952715) has the molecular formula C26H22BrN3O4S and a molecular weight of 552.45 g/mol. Its IUPAC name is N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID167952715
Molecular FormulaC26H22BrN3O4S
Molecular Weight552.45 g/mol
Exact Mass551.05
IUPAC NameN-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Br)cc1-c1ncc(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)s1
InChIInChI=1S/C26H22BrN3O4S/c1-33-22-11-8-19(27)12-21(22)26-30-14-23(35-26)25(32)29-13-16-2-4-17(5-3-16)18-6-9-20(10-7-18)34-15-24(28)31/h2-12,14H,13,15H2,1H3,(H2,28,31)(H,29,32)
InChIKeyUYCUWAOEDREGLN-UHFFFAOYSA-N
XLogP5.04
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852089
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
CID 43736688
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 2219076
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 71995102
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567119
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide (CID 167952715) is N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(Br)cc1-c1ncc(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)s1.
What is the InChIKey of N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UYCUWAOEDREGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrN3O4S/c1-33-22-11-8-19(27)12-21(22)26-30-14-23(35-26)25(32)29-13-16-2-4-17(5-3-16)18-6-9-20(10-7-18)34-15-24(28)31/h2-12,14H,13,15H2,1H3,(H2,28,31)(H,29,32).
What are the key properties of N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide?
N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 552.45 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-2-(5-bromo-2-methoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167952715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).