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

C16H21N3S — CID 62751684

IUPAC[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCC(Cc3ccccc3)CC2)s1
InChIInChI=1S/C16H21N3S/c17-11-15-12-18-16(20-15)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11,17H2
InChIKeyAVJDLGIMGDOQRX-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.06
Rot. Bonds4

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

[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62751684) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62751684
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCC(Cc3ccccc3)CC2)s1
InChIInChI=1S/C16H21N3S/c17-11-15-12-18-16(20-15)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11,17H2
InChIKeyAVJDLGIMGDOQRX-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 130548481
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
1-(4-benzylpiperidin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone
CID 29139696
[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62750144
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751202
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365
4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2132383
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 62779816
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543
[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 65287071

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62751684) is [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(N2CCC(Cc3ccccc3)CC2)s1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is AVJDLGIMGDOQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-11-15-12-18-16(20-15)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11,17H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62751684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).