(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

C25H37N3OS — CID 67324547

IUPAC(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
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C25H37N3OS/c1-24(2)9-10-25(3,4)21-13-18(5-6-20(21)24)22-16-30-23(27-22)17-7-11-28(12-8-17)14-19(26)15-29/h5-6,13,16-17,19,29H,7-12,14-15,26H2,1-4H3/t19-/m1/s1
InChIKeyDBQARPGEEZGRMB-LJQANCHMSA-N
MW427.66 g/mol
LogP4.66
Rot. Bonds5

About (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

(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 (PubChem CID 67324547) has the molecular formula C25H37N3OS and a molecular weight of 427.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID67324547
Molecular FormulaC25H37N3OS
Molecular Weight427.66 g/mol
Exact Mass427.27
IUPAC Name(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
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C25H37N3OS/c1-24(2)9-10-25(3,4)21-13-18(5-6-20(21)24)22-16-30-23(27-22)17-7-11-28(12-8-17)14-19(26)15-29/h5-6,13,16-17,19,29H,7-12,14-15,26H2,1-4H3/t19-/m1/s1
InChIKeyDBQARPGEEZGRMB-LJQANCHMSA-N
XLogP4.66
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.66
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@@H](N)CO)CC4)n3)ccc21.
What is the InChIKey of (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?
The InChIKey is DBQARPGEEZGRMB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H37N3OS/c1-24(2)9-10-25(3,4)21-13-18(5-6-20(21)24)22-16-30-23(27-22)17-7-11-28(12-8-17)14-19(26)15-29/h5-6,13,16-17,19,29H,7-12,14-15,26H2,1-4H3/t19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 427.66 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 67324547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).