2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol

C13H24N2O2S — CID 103992620

IUPAC2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
SMILESCC(C)(C)c1ncc(CNCCCOCCO)s1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)12-15-10-11(18-12)9-14-5-4-7-17-8-6-16/h10,14,16H,4-9H2,1-3H3
InChIKeyCTYSAWAVFFOSDC-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.93
Rot. Bonds8

About 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol

2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol (PubChem CID 103992620) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
PubChem CID103992620
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
SMILESCC(C)(C)c1ncc(CNCCCOCCO)s1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)12-15-10-11(18-12)9-14-5-4-7-17-8-6-16/h10,14,16H,4-9H2,1-3H3
InChIKeyCTYSAWAVFFOSDC-UHFFFAOYSA-N
XLogP1.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103854496
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491448
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 103824326
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethylsulfonylethanamine
CID 103642971
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
2-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845616
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
CID 103992523
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol (CID 103992620) is 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol is CC(C)(C)c1ncc(CNCCCOCCO)s1.
What is the InChIKey of 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol?
The InChIKey is CTYSAWAVFFOSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-13(2,3)12-15-10-11(18-12)9-14-5-4-7-17-8-6-16/h10,14,16H,4-9H2,1-3H3.
What are the key properties of 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol?
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol has a molecular weight of 272.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).