1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C14H24N2O2S — CID 104705070

IUPAC1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cnc(C(C)(C)C)s2)CCOC1
InChIInChI=1S/C14H24N2O2S/c1-13(2,3)12-16-8-11(19-12)7-15-9-14(17-4)5-6-18-10-14/h8,15H,5-7,9-10H2,1-4H3
InChIKeyQDRYBYZKAYVKGY-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104705070) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104705070
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cnc(C(C)(C)C)s2)CCOC1
InChIInChI=1S/C14H24N2O2S/c1-13(2,3)12-16-8-11(19-12)7-15-9-14(17-4)5-6-18-10-14/h8,15H,5-7,9-10H2,1-4H3
InChIKeyQDRYBYZKAYVKGY-UHFFFAOYSA-N
XLogP2.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78975086
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 104759795
methyl 2-[5-[[(3-methoxyoxolan-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 104721681
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760674
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 104762255

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104705070) is 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2cnc(C(C)(C)C)s2)CCOC1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is QDRYBYZKAYVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-13(2,3)12-16-8-11(19-12)7-15-9-14(17-4)5-6-18-10-14/h8,15H,5-7,9-10H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 284.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104705070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).