4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C14H25N3OS — CID 75497539

IUPAC4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOC1CC(NCc2csc(N(C)C)n2)C1(C)C
InChIInChI=1S/C14H25N3OS/c1-6-18-12-7-11(14(12,2)3)15-8-10-9-19-13(16-10)17(4)5/h9,11-12,15H,6-8H2,1-5H3
InChIKeyZGXYKMSMKRMBJX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.50
Rot. Bonds6

About 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 75497539) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID75497539
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCOC1CC(NCc2csc(N(C)C)n2)C1(C)C
InChIInChI=1S/C14H25N3OS/c1-6-18-12-7-11(14(12,2)3)15-8-10-9-19-13(16-10)17(4)5/h9,11-12,15H,6-8H2,1-5H3
InChIKeyZGXYKMSMKRMBJX-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 75497539) is 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CCOC1CC(NCc2csc(N(C)C)n2)C1(C)C.
What is the InChIKey of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ZGXYKMSMKRMBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-18-12-7-11(14(12,2)3)15-8-10-9-19-13(16-10)17(4)5/h9,11-12,15H,6-8H2,1-5H3.
What are the key properties of 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 75497539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).