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

C28H41N3S — CID 67324285

IUPACN-cyclohexyl-1-[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(NC5CCCCC5)CC4)n3)ccc21
InChIInChI=1S/C28H41N3S/c1-27(2)14-15-28(3,4)24-18-20(10-11-23(24)27)25-19-32-26(30-25)31-16-12-22(13-17-31)29-21-8-6-5-7-9-21/h10-11,18-19,21-22,29H,5-9,12-17H2,1-4H3
InChIKeyLDUMKFVDSAPKBK-UHFFFAOYSA-N
MW451.72 g/mol
LogP7.05
Rot. Bonds4

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

N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine (PubChem CID 67324285) has the molecular formula C28H41N3S and a molecular weight of 451.72 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine
PubChem CID67324285
Molecular FormulaC28H41N3S
Molecular Weight451.72 g/mol
Exact Mass451.30
IUPAC NameN-cyclohexyl-1-[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(NC5CCCCC5)CC4)n3)ccc21
InChIInChI=1S/C28H41N3S/c1-27(2)14-15-28(3,4)24-18-20(10-11-23(24)27)25-19-32-26(30-25)31-16-12-22(13-17-31)29-21-8-6-5-7-9-21/h10-11,18-19,21-22,29H,5-9,12-17H2,1-4H3
InChIKeyLDUMKFVDSAPKBK-UHFFFAOYSA-N
XLogP7.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.72
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine 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 N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine (CID 67324285) is N-cyclohexyl-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 N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-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(NC5CCCCC5)CC4)n3)ccc21.
What is the InChIKey of N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
The InChIKey is LDUMKFVDSAPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3S/c1-27(2)14-15-28(3,4)24-18-20(10-11-23(24)27)25-19-32-26(30-25)31-16-12-22(13-17-31)29-21-8-6-5-7-9-21/h10-11,18-19,21-22,29H,5-9,12-17H2,1-4H3.
What are the key properties of N-cyclohexyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine?
N-cyclohexyl-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 451.72 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-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 67324285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).