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

C26H40N4OS — CID 70799667

IUPAC(3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC[C@H](N)CCO)CC4)n3)ccc21
InChIInChI=1S/C26H40N4OS/c1-25(2)10-11-26(3,4)22-15-18(5-6-21(22)25)23-17-32-24(29-23)30-12-7-20(8-13-30)28-16-19(27)9-14-31/h5-6,15,17,19-20,28,31H,7-14,16,27H2,1-4H3/t19-/m1/s1
InChIKeyPEZFNFGHGMOKLP-LJQANCHMSA-N
MW456.70 g/mol
LogP4.43
Rot. Bonds7

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

(3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol (PubChem CID 70799667) has the molecular formula C26H40N4OS and a molecular weight of 456.70 g/mol. Its IUPAC name is (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol
PubChem CID70799667
Molecular FormulaC26H40N4OS
Molecular Weight456.70 g/mol
Exact Mass456.29
IUPAC Name(3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC[C@H](N)CCO)CC4)n3)ccc21
InChIInChI=1S/C26H40N4OS/c1-25(2)10-11-26(3,4)22-15-18(5-6-21(22)25)23-17-32-24(29-23)30-12-7-20(8-13-30)28-16-19(27)9-14-31/h5-6,15,17,19-20,28,31H,7-14,16,27H2,1-4H3/t19-/m1/s1
InChIKeyPEZFNFGHGMOKLP-LJQANCHMSA-N
XLogP4.43
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.70
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol (CID 70799667) is (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NC[C@H](N)CCO)CC4)n3)ccc21.
What is the InChIKey of (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol?
The InChIKey is PEZFNFGHGMOKLP-LJQANCHMSA-N. The full InChI is InChI=1S/C26H40N4OS/c1-25(2)10-11-26(3,4)22-15-18(5-6-21(22)25)23-17-32-24(29-23)30-12-7-20(8-13-30)28-16-19(27)9-14-31/h5-6,15,17,19-20,28,31H,7-14,16,27H2,1-4H3/t19-/m1/s1.
What are the key properties of (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol?
(3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol has a molecular weight of 456.70 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 70799667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).