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

C17H23N3OS — CID 75439495

IUPACN-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(Cc2scnc2C)CC1
InChIInChI=1S/C17H23N3OS/c1-13-17(22-12-18-13)11-20-9-7-14(8-10-20)19-15-5-3-4-6-16(15)21-2/h3-6,12,14,19H,7-11H2,1-2H3
InChIKeyMXSOUNQOYVIXOS-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.54
Rot. Bonds5

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

N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 75439495) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
PubChem CID75439495
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(Cc2scnc2C)CC1
InChIInChI=1S/C17H23N3OS/c1-13-17(22-12-18-13)11-20-9-7-14(8-10-20)19-15-5-3-4-6-16(15)21-2/h3-6,12,14,19H,7-11H2,1-2H3
InChIKeyMXSOUNQOYVIXOS-UHFFFAOYSA-N
XLogP3.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (CID 75439495) is N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is COc1ccccc1NC1CCN(Cc2scnc2C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is MXSOUNQOYVIXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-17(22-12-18-13)11-20-9-7-14(8-10-20)19-15-5-3-4-6-16(15)21-2/h3-6,12,14,19H,7-11H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 317.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 75439495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).