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

C16H30N2OS — CID 114364038

IUPACN-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(OCC)C(C)C)nc1CCC
InChIInChI=1S/C16H30N2OS/c1-6-9-13-14(11-17-10-7-2)20-16(18-13)15(12(4)5)19-8-3/h12,15,17H,6-11H2,1-5H3
InChIKeyXZSDLDKYUTWJOY-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.33
Rot. Bonds10

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

N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114364038) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114364038
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(OCC)C(C)C)nc1CCC
InChIInChI=1S/C16H30N2OS/c1-6-9-13-14(11-17-10-7-2)20-16(18-13)15(12(4)5)19-8-3/h12,15,17H,6-11H2,1-5H3
InChIKeyXZSDLDKYUTWJOY-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.33
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-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363929
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367391
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
N-[[2-(1-ethoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730817
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367234
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730815
N-[[2-butan-2-yl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368874
N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363891

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114364038) is N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C(OCC)C(C)C)nc1CCC.
What is the InChIKey of N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is XZSDLDKYUTWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-6-9-13-14(11-17-10-7-2)20-16(18-13)15(12(4)5)19-8-3/h12,15,17H,6-11H2,1-5H3.
What are the key properties of N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 298.50 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114364038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).