N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine

C17H22N2S — CID 63250996

IUPACN-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(C2CCCc3ccccc32)s1
InChIInChI=1S/C17H22N2S/c1-3-18-12(2)16-11-19-17(20-16)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11-12,15,18H,3,6,8,10H2,1-2H3
InChIKeyDSKKNKQAHQIOEQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.28
Rot. Bonds4

About N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 63250996) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID63250996
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(C2CCCc3ccccc32)s1
InChIInChI=1S/C17H22N2S/c1-3-18-12(2)16-11-19-17(20-16)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11-12,15,18H,3,6,8,10H2,1-2H3
InChIKeyDSKKNKQAHQIOEQ-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 63250996) is N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(C2CCCc3ccccc32)s1.
What is the InChIKey of N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is DSKKNKQAHQIOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-18-12(2)16-11-19-17(20-16)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11-12,15,18H,3,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 63250996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).