2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine

C13H22N2OS — CID 79927526

IUPAC2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
SMILESCc1ncc(CNC2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-9-14-7-10(17-9)8-15-11-6-12(2,3)16-13(11,4)5/h7,11,15H,6,8H2,1-5H3
InChIKeyDNTGLPIXCOPXAO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.89
Rot. Bonds3

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

2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine (PubChem CID 79927526) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
PubChem CID79927526
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
SMILESCc1ncc(CNC2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-9-14-7-10(17-9)8-15-11-6-12(2,3)16-13(11,4)5/h7,11,15H,6,8H2,1-5H3
InChIKeyDNTGLPIXCOPXAO-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97108473
2,2,5,5-tetramethyl-N-[(6-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 79928608
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
2,2,5,5-tetramethyl-N-[(2-methylpyrimidin-4-yl)methyl]oxolan-3-amine
CID 79928842
2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
CID 79927637
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97230209

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine (CID 79927526) is 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine is Cc1ncc(CNC2CC(C)(C)OC2(C)C)s1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is DNTGLPIXCOPXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9-14-7-10(17-9)8-15-11-6-12(2,3)16-13(11,4)5/h7,11,15H,6,8H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 254.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 79927526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).