N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C13H22N2OS — CID 116521490

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1CCC(C)(C)O1)c1nccs1
InChIInChI=1S/C13H22N2OS/c1-4-11(12-14-7-8-17-12)15-9-10-5-6-13(2,3)16-10/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyZYYVJELYDWZUQJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.14
Rot. Bonds5

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

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 116521490) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID116521490
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1CCC(C)(C)O1)c1nccs1
InChIInChI=1S/C13H22N2OS/c1-4-11(12-14-7-8-17-12)15-9-10-5-6-13(2,3)16-10/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKeyZYYVJELYDWZUQJ-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 102894599
N-[(4-methylpiperidin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 114421565
1-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]cyclopentan-1-amine
CID 64682277
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64509268
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 116521719
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79888731
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
1-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]pentan-3-amine
CID 116524076

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 116521490) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCC1CCC(C)(C)O1)c1nccs1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ZYYVJELYDWZUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-11(12-14-7-8-17-12)15-9-10-5-6-13(2,3)16-10/h7-8,10-11,15H,4-6,9H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 116521490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).