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

C14H25N3S — CID 82425285

IUPACN-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1cnc(N2CCCC(C)C2)s1
InChIInChI=1S/C14H25N3S/c1-3-4-7-15-9-13-10-16-14(18-13)17-8-5-6-12(2)11-17/h10,12,15H,3-9,11H2,1-2H3
InChIKeyTYBGRBQNELDKJT-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.27
Rot. Bonds6

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

N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 82425285) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID82425285
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1cnc(N2CCCC(C)C2)s1
InChIInChI=1S/C14H25N3S/c1-3-4-7-15-9-13-10-16-14(18-13)17-8-5-6-12(2)11-17/h10,12,15H,3-9,11H2,1-2H3
InChIKeyTYBGRBQNELDKJT-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(azepan-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425438
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
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-(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-(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-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
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
N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62754485
N-[[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425126
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115697267
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 79936936

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 82425285) is N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine is CCCCNCc1cnc(N2CCCC(C)C2)s1.
What is the InChIKey of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is TYBGRBQNELDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-4-7-15-9-13-10-16-14(18-13)17-8-5-6-12(2)11-17/h10,12,15H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 82425285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).