1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine

C22H31N3S — CID 53312200

IUPAC1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21
InChIInChI=1S/C22H31N3S/c1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-14-26-20(24-19)25-11-7-16(23)8-12-25/h5-6,13-14,16H,7-12,23H2,1-4H3
InChIKeyPLVSCZYUBGHWFO-UHFFFAOYSA-N
MW369.58 g/mol
LogP5.09
Rot. Bonds2

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

1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine (PubChem CID 53312200) has the molecular formula C22H31N3S and a molecular weight of 369.58 g/mol. Its IUPAC name is 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
PubChem CID53312200
Molecular FormulaC22H31N3S
Molecular Weight369.58 g/mol
Exact Mass369.22
IUPAC Name1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21
InChIInChI=1S/C22H31N3S/c1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-14-26-20(24-19)25-11-7-16(23)8-12-25/h5-6,13-14,16H,7-12,23H2,1-4H3
InChIKeyPLVSCZYUBGHWFO-UHFFFAOYSA-N
XLogP5.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.58
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine (CID 53312200) is 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.
What is the InChIKey of 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The InChIKey is PLVSCZYUBGHWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3S/c1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-14-26-20(24-19)25-11-7-16(23)8-12-25/h5-6,13-14,16H,7-12,23H2,1-4H3.
What are the key properties of 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine has a molecular weight of 369.58 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 53312200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).