N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C15H26N2OS — CID 103830771

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nc(C)sc2C)C1(C)C
InChIInChI=1S/C15H26N2OS/c1-7-18-13-8-12(15(13,5)6)16-9(2)14-10(3)19-11(4)17-14/h9,12-13,16H,7-8H2,1-6H3
InChIKeyBHVZSOFZNWZBBP-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 103830771) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID103830771
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nc(C)sc2C)C1(C)C
InChIInChI=1S/C15H26N2OS/c1-7-18-13-8-12(15(13,5)6)16-9(2)14-10(3)19-11(4)17-14/h9,12-13,16H,7-8H2,1-6H3
InChIKeyBHVZSOFZNWZBBP-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

1-[4-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150606
1-[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150607
N-[[4-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150608
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150609
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150610
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150611
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103150612
N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150625
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150626
N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150627
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150628
N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150629

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 103830771) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NC(C)c2nc(C)sc2C)C1(C)C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is BHVZSOFZNWZBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-7-18-13-8-12(15(13,5)6)16-9(2)14-10(3)19-11(4)17-14/h9,12-13,16H,7-8H2,1-6H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103830771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).