(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide

C24H45N3O2SSi — CID 22843384

IUPAC(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide
SMILESCC[C@@](O[Si](C)(C)C(C)(C)C)(c1nccs1)C1CCCC[C@H]1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C24H45N3O2SSi/c1-9-24(22-26-14-15-30-22,29-31(7,8)23(4,5)6)18-12-10-11-13-20(18)27-21(28)19(25)16-17(2)3/h14-15,17-20H,9-13,16,25H2,1-8H3,(H,27,28)/t18?,19-,20+,24-/m0/s1
InChIKeyIYBQGCKKNOPIRE-HDDFQFQDSA-N
MW467.80 g/mol
LogP5.82
Rot. Bonds9

About (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide

(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide (PubChem CID 22843384) has the molecular formula C24H45N3O2SSi and a molecular weight of 467.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide
PubChem CID22843384
Molecular FormulaC24H45N3O2SSi
Molecular Weight467.80 g/mol
Exact Mass467.30
IUPAC Name(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide
SMILESCC[C@@](O[Si](C)(C)C(C)(C)C)(c1nccs1)C1CCCC[C@H]1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C24H45N3O2SSi/c1-9-24(22-26-14-15-30-22,29-31(7,8)23(4,5)6)18-12-10-11-13-20(18)27-21(28)19(25)16-17(2)3/h14-15,17-20H,9-13,16,25H2,1-8H3,(H,27,28)/t18?,19-,20+,24-/m0/s1
InChIKeyIYBQGCKKNOPIRE-HDDFQFQDSA-N
XLogP5.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.80
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide with MolForge

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Related Compounds

(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
[2-[1-hydroxy-1-(1,3-thiazol-2-yl)ethyl]cyclohexyl]carbamic acid
CID 70984754
(2S)-2-amino-N-[3-hydroxy-1-(1,3-thiazol-2-ylsulfonyl)azepan-4-yl]-4-methylpentanamide
CID 69313114
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
CID 59921664
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 124741779
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide (CID 22843384) is (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide is CC[C@@](O[Si](C)(C)C(C)(C)C)(c1nccs1)C1CCCC[C@H]1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide?
The InChIKey is IYBQGCKKNOPIRE-HDDFQFQDSA-N. The full InChI is InChI=1S/C24H45N3O2SSi/c1-9-24(22-26-14-15-30-22,29-31(7,8)23(4,5)6)18-12-10-11-13-20(18)27-21(28)19(25)16-17(2)3/h14-15,17-20H,9-13,16,25H2,1-8H3,(H,27,28)/t18?,19-,20+,24-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide?
(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide has a molecular weight of 467.80 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide is sourced from PubChem (CID 22843384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).