1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

C14H25N3S — CID 64544997

IUPAC1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C14H25N3S/c1-5-15-11(2)12-9-18-13(16-12)17-8-6-7-14(3,4)10-17/h9,11,15H,5-8,10H2,1-4H3
InChIKeyBODWDLJSYDWNLO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64544997) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64544997
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C14H25N3S/c1-5-15-11(2)12-9-18-13(16-12)17-8-6-7-14(3,4)10-17/h9,11,15H,5-8,10H2,1-4H3
InChIKeyBODWDLJSYDWNLO-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64544997) is 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(N2CCCC(C)(C)C2)n1.
What is the InChIKey of 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is BODWDLJSYDWNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-15-11(2)12-9-18-13(16-12)17-8-6-7-14(3,4)10-17/h9,11,15H,5-8,10H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64544997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).