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

C26H38N2OS — CID 123516451

IUPAC2-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
SMILESCC(CO)CN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C26H38N2OS/c1-18(16-29)15-28-12-8-19(9-13-28)24-27-23(17-30-24)20-6-7-21-22(14-20)26(4,5)11-10-25(21,2)3/h6-7,14,17-19,29H,8-13,15-16H2,1-5H3
InChIKeyLEJZFHRKDCSMQX-UHFFFAOYSA-N
MW426.67 g/mol
LogP5.97
Rot. Bonds5

About 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

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 (PubChem CID 123516451) has the molecular formula C26H38N2OS and a molecular weight of 426.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID123516451
Molecular FormulaC26H38N2OS
Molecular Weight426.67 g/mol
Exact Mass426.27
IUPAC Name2-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
SMILESCC(CO)CN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C26H38N2OS/c1-18(16-29)15-28-12-8-19(9-13-28)24-27-23(17-30-24)20-6-7-21-22(14-20)26(4,5)11-10-25(21,2)3/h6-7,14,17-19,29H,8-13,15-16H2,1-5H3
InChIKeyLEJZFHRKDCSMQX-UHFFFAOYSA-N
XLogP5.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

(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
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-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde
CID 143916643
2-[1-(4-ethyloctyl)piperidin-4-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 143916708
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
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
(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol
CID 58246469
5-[3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-ol
CID 67324527
2-(1-hexylpiperidin-4-yl)-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-thiazole
CID 143916769
3-[2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
CID 58246482
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CO)CN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of 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?
The InChIKey is LEJZFHRKDCSMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2OS/c1-18(16-29)15-28-12-8-19(9-13-28)24-27-23(17-30-24)20-6-7-21-22(14-20)26(4,5)11-10-25(21,2)3/h6-7,14,17-19,29H,8-13,15-16H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 426.67 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123516451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).