N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C14H25N3OS — CID 102968411

IUPACN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCC(C)C(OC)C2)s1
InChIInChI=1S/C14H25N3OS/c1-4-6-15-8-12-9-16-14(19-12)17-7-5-11(2)13(10-17)18-3/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyHYSLSAPXKFXRSZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.50
Rot. Bonds6

About N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 102968411) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID102968411
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCC(C)C(OC)C2)s1
InChIInChI=1S/C14H25N3OS/c1-4-6-15-8-12-9-16-14(19-12)17-7-5-11(2)13(10-17)18-3/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyHYSLSAPXKFXRSZ-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968519
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79170468
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 102967713
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 102967632
N-[[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63151751
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79924400
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55160312
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103540249
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425285
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 102967586

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 102968411) is N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCC(C)C(OC)C2)s1.
What is the InChIKey of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is HYSLSAPXKFXRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-6-15-8-12-9-16-14(19-12)17-7-5-11(2)13(10-17)18-3/h9,11,13,15H,4-8,10H2,1-3H3.
What are the key properties of N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 102968411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).