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

C18H25N3OS — CID 71916660

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(Cc2nc(C)c(C)s2)CC1
InChIInChI=1S/C18H25N3OS/c1-13-14(2)23-18(19-13)12-21-10-8-15(9-11-21)20-16-6-4-5-7-17(16)22-3/h4-7,15,20H,8-12H2,1-3H3
InChIKeyCXUKRTGUUBXKRF-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.85
Rot. Bonds5

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine (PubChem CID 71916660) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
PubChem CID71916660
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(Cc2nc(C)c(C)s2)CC1
InChIInChI=1S/C18H25N3OS/c1-13-14(2)23-18(19-13)12-21-10-8-15(9-11-21)20-16-6-4-5-7-17(16)22-3/h4-7,15,20H,8-12H2,1-3H3
InChIKeyCXUKRTGUUBXKRF-UHFFFAOYSA-N
XLogP3.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine (CID 71916660) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine is COc1ccccc1NC1CCN(Cc2nc(C)c(C)s2)CC1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine?
The InChIKey is CXUKRTGUUBXKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-14(2)23-18(19-13)12-21-10-8-15(9-11-21)20-16-6-4-5-7-17(16)22-3/h4-7,15,20H,8-12H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine has a molecular weight of 331.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 71916660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).