2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine

C17H23N3S — CID 62750149

IUPAC2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCC1CCN(c2nc(CC(N)c3ccccc3)cs2)CC1
InChIInChI=1S/C17H23N3S/c1-13-7-9-20(10-8-13)17-19-15(12-21-17)11-16(18)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11,18H2,1H3
InChIKeyJJZWEJCDKXVDSI-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.62
Rot. Bonds4

About 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine

2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine (PubChem CID 62750149) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
PubChem CID62750149
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCC1CCN(c2nc(CC(N)c3ccccc3)cs2)CC1
InChIInChI=1S/C17H23N3S/c1-13-7-9-20(10-8-13)17-19-15(12-21-17)11-16(18)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11,18H2,1H3
InChIKeyJJZWEJCDKXVDSI-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine (CID 62750149) is 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine is CC1CCN(c2nc(CC(N)c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The InChIKey is JJZWEJCDKXVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-7-9-20(10-8-13)17-19-15(12-21-17)11-16(18)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11,18H2,1H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine is sourced from PubChem (CID 62750149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).