5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C24H38N4OS — CID 29021989

IUPAC5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1CN1CCC(CN(Cc2cnc(N(C)C)s2)CC(C)C)CC1
InChIInChI=1S/C24H38N4OS/c1-19(2)15-28(18-22-14-25-24(30-22)26(3)4)16-20-10-12-27(13-11-20)17-21-8-6-7-9-23(21)29-5/h6-9,14,19-20H,10-13,15-18H2,1-5H3
InChIKeyXIKHLFADKSSCSC-UHFFFAOYSA-N
MW430.66 g/mol
LogP4.59
Rot. Bonds10

About 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 29021989) has the molecular formula C24H38N4OS and a molecular weight of 430.66 g/mol. Its IUPAC name is 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID29021989
Molecular FormulaC24H38N4OS
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Name5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1CN1CCC(CN(Cc2cnc(N(C)C)s2)CC(C)C)CC1
InChIInChI=1S/C24H38N4OS/c1-19(2)15-28(18-22-14-25-24(30-22)26(3)4)16-20-10-12-27(13-11-20)17-21-8-6-7-9-23(21)29-5/h6-9,14,19-20H,10-13,15-18H2,1-5H3
InChIKeyXIKHLFADKSSCSC-UHFFFAOYSA-N
XLogP4.59
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 29021989) is 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is COc1ccccc1CN1CCC(CN(Cc2cnc(N(C)C)s2)CC(C)C)CC1.
What is the InChIKey of 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is XIKHLFADKSSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4OS/c1-19(2)15-28(18-22-14-25-24(30-22)26(3)4)16-20-10-12-27(13-11-20)17-21-8-6-7-9-23(21)29-5/h6-9,14,19-20H,10-13,15-18H2,1-5H3.
What are the key properties of 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 430.66 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 29021989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).