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

C15H28N2OS — CID 114362860

IUPACN-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)OCC)nc1C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-7-9-16-10-12-13(15(4,5)6)17-14(19-12)11(3)18-8-2/h11,16H,7-10H2,1-6H3
InChIKeyPMYJBUHEZIIXKC-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.04
Rot. Bonds7

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

N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114362860) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114362860
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)OCC)nc1C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-7-9-16-10-12-13(15(4,5)6)17-14(19-12)11(3)18-8-2/h11,16H,7-10H2,1-6H3
InChIKeyPMYJBUHEZIIXKC-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.04
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-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114363090
N-[[2-(1-ethoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730817
N-[[4-tert-butyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362715
4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55113095
1-[4-tert-butyl-2-(1-ethoxypropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362320
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730811
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184
N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82438785
N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730815
N-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64534830
4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514965

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114362860) is N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C(C)OCC)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is PMYJBUHEZIIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-7-9-16-10-12-13(15(4,5)6)17-14(19-12)11(3)18-8-2/h11,16H,7-10H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114362860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).