3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide

C26H36N4O2S — CID 45107664

IUPAC3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)C(N)CC(N)=O)CC4)n3)ccc21
InChIInChI=1S/C26H36N4O2S/c1-25(2)9-10-26(3,4)19-13-17(5-6-18(19)25)21-15-33-23(29-21)16-7-11-30(12-8-16)24(32)20(27)14-22(28)31/h5-6,13,15-16,20H,7-12,14,27H2,1-4H3,(H2,28,31)
InChIKeyAEJJDGAMTFLWFB-UHFFFAOYSA-N
MW468.67 g/mol
LogP4.07
Rot. Bonds5

About 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide

3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide (PubChem CID 45107664) has the molecular formula C26H36N4O2S and a molecular weight of 468.67 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide
PubChem CID45107664
Molecular FormulaC26H36N4O2S
Molecular Weight468.67 g/mol
Exact Mass468.26
IUPAC Name3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)C(N)CC(N)=O)CC4)n3)ccc21
InChIInChI=1S/C26H36N4O2S/c1-25(2)9-10-26(3,4)19-13-17(5-6-18(19)25)21-15-33-23(29-21)16-7-11-30(12-8-16)24(32)20(27)14-22(28)31/h5-6,13,15-16,20H,7-12,14,27H2,1-4H3,(H2,28,31)
InChIKeyAEJJDGAMTFLWFB-UHFFFAOYSA-N
XLogP4.07
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide with MolForge

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Related Compounds

(3S)-3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide
CID 58246490
2-amino-3-(1H-imidazol-5-yl)-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
CID 67165702
(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol
CID 67324547
tert-butyl (3S)-7-hydroxy-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]heptanoate
CID 58246448
5-methoxy-4-methyl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 143916684
4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde
CID 143916643
2-methyl-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol
CID 123516451
N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine
CID 44622127
4-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one
CID 58246479
N-(4,5-dimethyl-2-nitrophenyl)-4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 23911989
tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate
CID 163877884
5-pyridin-2-yl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 143916682

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide?
The IUPAC name of 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide (CID 45107664) is 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide.
What is the SMILES notation for 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide?
The canonical SMILES for 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)C(N)CC(N)=O)CC4)n3)ccc21.
What is the InChIKey of 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide?
The InChIKey is AEJJDGAMTFLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2S/c1-25(2)9-10-26(3,4)19-13-17(5-6-18(19)25)21-15-33-23(29-21)16-7-11-30(12-8-16)24(32)20(27)14-22(28)31/h5-6,13,15-16,20H,7-12,14,27H2,1-4H3,(H2,28,31).
What are the key properties of 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide?
3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide has a molecular weight of 468.67 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide is sourced from PubChem (CID 45107664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).