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

C16H20N2S — CID 79154381

IUPAC2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C2CCc3ccccc3C2)sc1CCN
InChIInChI=1S/C16H20N2S/c1-11-15(8-9-17)19-16(18-11)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14H,6-10,17H2,1H3
InChIKeySVOAAYJTIXMRJJ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.23
Rot. Bonds3

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

2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79154381) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79154381
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C2CCc3ccccc3C2)sc1CCN
InChIInChI=1S/C16H20N2S/c1-11-15(8-9-17)19-16(18-11)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14H,6-10,17H2,1H3
InChIKeySVOAAYJTIXMRJJ-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 79154381) is 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(C2CCc3ccccc3C2)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SVOAAYJTIXMRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-15(8-9-17)19-16(18-11)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,14H,6-10,17H2,1H3.
What are the key properties of 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79154381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).