[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C16H21N3S — CID 62765321

IUPAC[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCC1CCN(c2nc(-c3ccccc3)c(CN)s2)CC1
InChIInChI=1S/C16H21N3S/c1-12-7-9-19(10-8-12)16-18-15(14(11-17)20-16)13-5-3-2-4-6-13/h2-6,12H,7-11,17H2,1H3
InChIKeyQSTKROCUAOWSDA-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.51
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 62765321) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID62765321
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCC1CCN(c2nc(-c3ccccc3)c(CN)s2)CC1
InChIInChI=1S/C16H21N3S/c1-12-7-9-19(10-8-12)16-18-15(14(11-17)20-16)13-5-3-2-4-6-13/h2-6,12H,7-11,17H2,1H3
InChIKeyQSTKROCUAOWSDA-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 62765321) is [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is CC1CCN(c2nc(-c3ccccc3)c(CN)s2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is QSTKROCUAOWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-7-9-19(10-8-12)16-18-15(14(11-17)20-16)13-5-3-2-4-6-13/h2-6,12H,7-11,17H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62765321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).