2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide

C23H27N3O2SSi — CID 173183392

IUPAC2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)C1CN(c2nc(C(N)=O)cs2)C1O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O2SSi/c1-23(2,3)18-14-26(22-25-19(15-29-22)20(24)27)21(18)28-30(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21,30H,14H2,1-3H3,(H2,24,27)
InChIKeyFUYVBUSQJBPJQB-UHFFFAOYSA-N
MW437.64 g/mol
LogP2.61
Rot. Bonds6

About 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide

2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 173183392) has the molecular formula C23H27N3O2SSi and a molecular weight of 437.64 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID173183392
Molecular FormulaC23H27N3O2SSi
Molecular Weight437.64 g/mol
Exact Mass437.16
IUPAC Name2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)C1CN(c2nc(C(N)=O)cs2)C1O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O2SSi/c1-23(2,3)18-14-26(22-25-19(15-29-22)20(24)27)21(18)28-30(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21,30H,14H2,1-3H3,(H2,24,27)
InChIKeyFUYVBUSQJBPJQB-UHFFFAOYSA-N
XLogP2.61
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 173183409
2-[(3S)-3-tert-butyl-2-diphenylsilyloxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 173183457
2-[(3R)-3-tert-butyl-2-diphenylsilyloxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 173183468
2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 173183474
(4-nitrophenyl)methyl N-[2-[[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 173183411
[2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 173183428
2-[(2S,3R,6S)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-1,3-thiazole-4-carboxamide
CID 133138807
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 70718281
2-[(2R,3R,6R)-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-1,3-thiazole-4-carboxamide
CID 56906611

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide (CID 173183392) is 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)C1CN(c2nc(C(N)=O)cs2)C1O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FUYVBUSQJBPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2SSi/c1-23(2,3)18-14-26(22-25-19(15-29-22)20(24)27)21(18)28-30(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21,30H,14H2,1-3H3,(H2,24,27).
What are the key properties of 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide?
2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 437.64 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-diphenylsilyloxyazetidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173183392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).