5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C14H26N2O2S — CID 107154750

IUPAC5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOC1(CNC2=NCC(CC(C)(C)C)S2)CCOC1
InChIInChI=1S/C14H26N2O2S/c1-13(2,3)7-11-8-15-12(19-11)16-9-14(17-4)5-6-18-10-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyCGXHXTRSJGYMHJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.29
Rot. Bonds4

About 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154750) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154750
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOC1(CNC2=NCC(CC(C)(C)C)S2)CCOC1
InChIInChI=1S/C14H26N2O2S/c1-13(2,3)7-11-8-15-12(19-11)16-9-14(17-4)5-6-18-10-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyCGXHXTRSJGYMHJ-UHFFFAOYSA-N
XLogP2.29
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154750) is 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is COC1(CNC2=NCC(CC(C)(C)C)S2)CCOC1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CGXHXTRSJGYMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-13(2,3)7-11-8-15-12(19-11)16-9-14(17-4)5-6-18-10-14/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 286.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).