N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide

C26H26N4O2SSi — CID 166521641

IUPACN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
SMILESC[Si](C)(C)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1
InChIInChI=1S/C26H26N4O2SSi/c1-34(2,3)22-9-5-8-21(15-22)25(32)28-16-24(31)30-26-29-23(17-33-26)20-7-4-6-19(14-20)18-10-12-27-13-11-18/h4-15,17H,16H2,1-3H3,(H,28,32)(H,29,30,31)
InChIKeyATFUECAIKWSYOG-UHFFFAOYSA-N
MW486.67 g/mol
LogP4.79
Rot. Bonds7

About N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide (PubChem CID 166521641) has the molecular formula C26H26N4O2SSi and a molecular weight of 486.67 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
PubChem CID166521641
Molecular FormulaC26H26N4O2SSi
Molecular Weight486.67 g/mol
Exact Mass486.15
IUPAC NameN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
SMILESC[Si](C)(C)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1
InChIInChI=1S/C26H26N4O2SSi/c1-34(2,3)22-9-5-8-21(15-22)25(32)28-16-24(31)30-26-29-23(17-33-26)20-7-4-6-19(14-20)18-10-12-27-13-11-18/h4-15,17H,16H2,1-3H3,(H,28,32)(H,29,30,31)
InChIKeyATFUECAIKWSYOG-UHFFFAOYSA-N
XLogP4.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.67
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
CID 153333092
tert-butyl N-[2-[3-[[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 166172235
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
CID 154669466
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
1-(2-aminoethyl)-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154669257
(Z,2E)-2-ethylidene-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pent-3-enamide
CID 154668432
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
CID 139386797
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
(Z,2E)-2-ethylidene-5-methyl-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]hex-3-enamide
CID 154668114
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
[2-methyl-2-[3-[[2-oxo-2-[[4-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propyl]carbamic acid
CID 166681834

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide?
The IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide (CID 166521641) is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide.
What is the SMILES notation for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide?
The canonical SMILES for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide is C[Si](C)(C)c1cccc(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccncc4)c3)cs2)c1.
What is the InChIKey of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide?
The InChIKey is ATFUECAIKWSYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2SSi/c1-34(2,3)22-9-5-8-21(15-22)25(32)28-16-24(31)30-26-29-23(17-33-26)20-7-4-6-19(14-20)18-10-12-27-13-11-18/h4-15,17H,16H2,1-3H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide?
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide has a molecular weight of 486.67 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide is sourced from PubChem (CID 166521641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).