N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine

C30H41N3S — CID 155547999

IUPACN-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCC(C)(C)c1ccc(-c2nc(CNCC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H41N3S/c1-29(2,3)24-11-7-22(8-12-24)27-28(23-9-13-25(14-10-23)30(4,5)6)34-26(33-27)20-32-19-21-15-17-31-18-16-21/h7-14,21,31-32H,15-20H2,1-6H3
InChIKeyAEAIJIUTWWOCDU-UHFFFAOYSA-N
MW475.75 g/mol
LogP7.16
Rot. Bonds6

About N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 155547999) has the molecular formula C30H41N3S and a molecular weight of 475.75 g/mol. Its IUPAC name is N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID155547999
Molecular FormulaC30H41N3S
Molecular Weight475.75 g/mol
Exact Mass475.30
IUPAC NameN-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESCC(C)(C)c1ccc(-c2nc(CNCC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H41N3S/c1-29(2,3)24-11-7-22(8-12-24)27-28(23-9-13-25(14-10-23)30(4,5)6)34-26(33-27)20-32-19-21-15-17-31-18-16-21/h7-14,21,31-32H,15-20H2,1-6H3
InChIKeyAEAIJIUTWWOCDU-UHFFFAOYSA-N
XLogP7.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.75
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 132085809
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
US11608337, Example 32
CID 132085789
(1-Benzyl-piperidin-4-yl)-(2-phenyl-thiazol-4-ylmethyl)-amine
CID 12050200
4,5-Diphenyl-2-(3-(piperidin-1-yl)propylthio)thiazole
CID 52946282
4,5-bis(4-methylphenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155558235
2-[2-[4-(1-adamantyl)phenyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 162665117
2-[(E)-1-[2-(4-cyclohexylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221280
2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221281
2,4-Diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole
CID 54760515
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
4,5-Bis(4-(tert-butyl)phenyl)-N-(piperidin-4-ylmethyl)thiazole-2-carboxamide
CID 155524393

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine (CID 155547999) is N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine is CC(C)(C)c1ccc(-c2nc(CNCC3CCNCC3)sc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is AEAIJIUTWWOCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3S/c1-29(2,3)24-11-7-22(8-12-24)27-28(23-9-13-25(14-10-23)30(4,5)6)34-26(33-27)20-32-19-21-15-17-31-18-16-21/h7-14,21,31-32H,15-20H2,1-6H3.
What are the key properties of N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 475.75 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 155547999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).