2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine

C10H16N2O2S — CID 104588940

IUPAC2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCc2cscn2)CO1
InChIInChI=1S/C10H16N2O2S/c1-10(2)13-4-9(5-14-10)11-3-8-6-15-7-12-8/h6-7,9,11H,3-5H2,1-2H3
InChIKeyQSQCHEBTIWPHAM-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.38
Rot. Bonds3

About 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine

2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine (PubChem CID 104588940) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine
PubChem CID104588940
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCc2cscn2)CO1
InChIInChI=1S/C10H16N2O2S/c1-10(2)13-4-9(5-14-10)11-3-8-6-15-7-12-8/h6-7,9,11H,3-5H2,1-2H3
InChIKeyQSQCHEBTIWPHAM-UHFFFAOYSA-N
XLogP1.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63831483
N-(1,3-thiazol-4-ylmethyl)-1,4-dithiepan-6-amine
CID 122557869
N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
CID 63830032
3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 115971767
N-[(4-bromothiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104588894
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 63831294
5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81334093
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-ol
CID 130658367
3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 65169503

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine (CID 104588940) is 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine is CC1(C)OCC(NCc2cscn2)CO1.
What is the InChIKey of 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine?
The InChIKey is QSQCHEBTIWPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2)13-4-9(5-14-10)11-3-8-6-15-7-12-8/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine?
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine has a molecular weight of 228.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine is sourced from PubChem (CID 104588940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).