1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine

C14H25N3S — CID 62754748

IUPAC1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(N2CCCC(C)C2C)s1
InChIInChI=1S/C14H25N3S/c1-5-15-11(3)13-9-16-14(18-13)17-8-6-7-10(2)12(17)4/h9-12,15H,5-8H2,1-4H3
InChIKeyRJBDMUFEPRDXTB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 62754748) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID62754748
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(N2CCCC(C)C2C)s1
InChIInChI=1S/C14H25N3S/c1-5-15-11(3)13-9-16-14(18-13)17-8-6-7-10(2)12(17)4/h9-12,15H,5-8H2,1-4H3
InChIKeyRJBDMUFEPRDXTB-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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Related Compounds

N-ethyl-1-[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 114597274
[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62752644
N-ethyl-1-[2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 114540452
1-[2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62753720
N-ethyl-1-[2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62967962
1-[2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63161333
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one
CID 64695613
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959
N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 63250996
N-[1-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 83221091

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 62754748) is 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(N2CCCC(C)C2C)s1.
What is the InChIKey of 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is RJBDMUFEPRDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-15-11(3)13-9-16-14(18-13)17-8-6-7-10(2)12(17)4/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-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-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 62754748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).