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

C15H27N3S — CID 55070041

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN2CC(C)CC(C)C2)cs1
InChIInChI=1S/C15H27N3S/c1-4-5-16-7-15-17-14(11-19-15)10-18-8-12(2)6-13(3)9-18/h11-13,16H,4-10H2,1-3H3
InChIKeyVYDBQMCFQKMLRZ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.12
Rot. Bonds6

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

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 55070041) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID55070041
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN2CC(C)CC(C)C2)cs1
InChIInChI=1S/C15H27N3S/c1-4-5-16-7-15-17-14(11-19-15)10-18-8-12(2)6-13(3)9-18/h11-13,16H,4-10H2,1-3H3
InChIKeyVYDBQMCFQKMLRZ-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.12
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-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62974619
N-[[4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62429350
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79183672
N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82515435
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
CID 63874067
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62443364
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102967937
2-methyl-N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 103503363

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 55070041) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(CN2CC(C)CC(C)C2)cs1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is VYDBQMCFQKMLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-5-16-7-15-17-14(11-19-15)10-18-8-12(2)6-13(3)9-18/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55070041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).