3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine

C14H24N2OS — CID 79928555

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1(c2nc(C)c(C)s2)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H24N2OS/c1-9-10(2)18-11(16-9)14(15-7)8-12(3,4)17-13(14,5)6/h15H,8H2,1-7H3
InChIKeyYKJMNWMRKBTDIE-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.15
Rot. Bonds2

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79928555) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79928555
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1(c2nc(C)c(C)s2)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H24N2OS/c1-9-10(2)18-11(16-9)14(15-7)8-12(3,4)17-13(14,5)6/h15H,8H2,1-7H3
InChIKeyYKJMNWMRKBTDIE-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylcyclobutan-1-amine
CID 61331332
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79862409
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
CID 130554851
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1,3-dihydroinden-2-amine
CID 61332513
4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61332257
1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61338247
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 61332915
3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947264
[1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
CID 82407544
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine
CID 65077839
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclohexan-1-amine
CID 107449614
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpiperidin-4-amine
CID 61334576

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79928555) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine is CNC1(c2nc(C)c(C)s2)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is YKJMNWMRKBTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9-10(2)18-11(16-9)14(15-7)8-12(3,4)17-13(14,5)6/h15H,8H2,1-7H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 268.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79928555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).