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

C26H39N3O2S — CID 157293663

IUPAC(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C26H39N3O2S/c1-25(2)9-10-26(3,4)20-14-18(5-6-19(20)25)22-16-32-24(28-22)29-11-7-17(8-12-29)13-23(31)21(27)15-30/h5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3/t21-,23+/m0/s1
InChIKeyWTOUNSUVZVJFHN-JTHBVZDNSA-N
MW457.68 g/mol
LogP4.45
Rot. Bonds6

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

(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol (PubChem CID 157293663) has the molecular formula C26H39N3O2S and a molecular weight of 457.68 g/mol. Its IUPAC name is (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol
PubChem CID157293663
Molecular FormulaC26H39N3O2S
Molecular Weight457.68 g/mol
Exact Mass457.28
IUPAC Name(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21
InChIInChI=1S/C26H39N3O2S/c1-25(2)9-10-26(3,4)20-14-18(5-6-19(20)25)22-16-32-24(28-22)29-11-7-17(8-12-29)13-23(31)21(27)15-30/h5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3/t21-,23+/m0/s1
InChIKeyWTOUNSUVZVJFHN-JTHBVZDNSA-N
XLogP4.45
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.68
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol?
The IUPAC name of (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol (CID 157293663) is (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol?
The canonical SMILES for (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C[C@@H](O)[C@@H](N)CO)CC4)n3)ccc21.
What is the InChIKey of (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol?
The InChIKey is WTOUNSUVZVJFHN-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H39N3O2S/c1-25(2)9-10-26(3,4)20-14-18(5-6-19(20)25)22-16-32-24(28-22)29-11-7-17(8-12-29)13-23(31)21(27)15-30/h5-6,14,16-17,21,23,30-31H,7-13,15,27H2,1-4H3/t21-,23+/m0/s1.
What are the key properties of (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol?
(2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol has a molecular weight of 457.68 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]butane-1,3-diol is sourced from PubChem (CID 157293663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).