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

C31H39N3OS — CID 58246479

IUPAC4-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
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)CCCc5ccccn5)CC4)n3)ccc21
InChIInChI=1S/C31H39N3OS/c1-30(2)15-16-31(3,4)26-20-23(11-12-25(26)30)27-21-36-29(33-27)22-13-18-34(19-14-22)28(35)10-7-9-24-8-5-6-17-32-24/h5-6,8,11-12,17,20-22H,7,9-10,13-16,18-19H2,1-4H3
InChIKeyCRCNRTWWNVOASL-UHFFFAOYSA-N
MW501.74 g/mol
LogP7.28
Rot. Bonds6

About 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

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 (PubChem CID 58246479) has the molecular formula C31H39N3OS and a molecular weight of 501.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID58246479
Molecular FormulaC31H39N3OS
Molecular Weight501.74 g/mol
Exact Mass501.28
IUPAC Name4-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
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)CCCc5ccccn5)CC4)n3)ccc21
InChIInChI=1S/C31H39N3OS/c1-30(2)15-16-31(3,4)26-20-23(11-12-25(26)30)27-21-36-29(33-27)22-13-18-34(19-14-22)28(35)10-7-9-24-8-5-6-17-32-24/h5-6,8,11-12,17,20-22H,7,9-10,13-16,18-19H2,1-4H3
InChIKeyCRCNRTWWNVOASL-UHFFFAOYSA-N
XLogP7.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.74
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
(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
1,3-dimethyl-7-[2-oxo-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]purine-2,6-dione
CID 3715936
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
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
(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
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
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
3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide
CID 158556123

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C(=O)CCCc5ccccn5)CC4)n3)ccc21.
What is the InChIKey of 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?
The InChIKey is CRCNRTWWNVOASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3OS/c1-30(2)15-16-31(3,4)26-20-23(11-12-25(26)30)27-21-36-29(33-27)22-13-18-34(19-14-22)28(35)10-7-9-24-8-5-6-17-32-24/h5-6,8,11-12,17,20-22H,7,9-10,13-16,18-19H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 501.74 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58246479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).