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

C26H39N3S — CID 44622127

IUPACN,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine
SMILESCN(C)CCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C26H39N3S/c1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)23-18-30-24(27-23)19-9-13-29(14-10-19)16-15-28(5)6/h7-8,17-19H,9-16H2,1-6H3
InChIKeyMSZSKVQIBDXDRU-UHFFFAOYSA-N
MW425.69 g/mol
LogP5.90
Rot. Bonds5

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

N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine (PubChem CID 44622127) has the molecular formula C26H39N3S and a molecular weight of 425.69 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine
PubChem CID44622127
Molecular FormulaC26H39N3S
Molecular Weight425.69 g/mol
Exact Mass425.29
IUPAC NameN,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine
SMILESCN(C)CCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C26H39N3S/c1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)23-18-30-24(27-23)19-9-13-29(14-10-19)16-15-28(5)6/h7-8,17-19H,9-16H2,1-6H3
InChIKeyMSZSKVQIBDXDRU-UHFFFAOYSA-N
XLogP5.90
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.69
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine 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,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine (CID 44622127) is N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine is CN(C)CCN1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine?
The InChIKey is MSZSKVQIBDXDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3S/c1-25(2)11-12-26(3,4)22-17-20(7-8-21(22)25)23-18-30-24(27-23)19-9-13-29(14-10-19)16-15-28(5)6/h7-8,17-19H,9-16H2,1-6H3.
What are the key properties of N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine has a molecular weight of 425.69 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 44622127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).