[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine

C15H18N2S — CID 83969663

IUPAC[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H18N2S/c16-9-14-10-18-15(17-14)8-11-5-6-12-3-1-2-4-13(12)7-11/h5-7,10H,1-4,8-9,16H2
InChIKeyPZWKDEDAGWDJCC-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.07
Rot. Bonds3

About [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine

[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 83969663) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID83969663
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H18N2S/c16-9-14-10-18-15(17-14)8-11-5-6-12-3-1-2-4-13(12)7-11/h5-7,10H,1-4,8-9,16H2
InChIKeyPZWKDEDAGWDJCC-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine (CID 83969663) is [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine is NCc1csc(Cc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is PZWKDEDAGWDJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-9-14-10-18-15(17-14)8-11-5-6-12-3-1-2-4-13(12)7-11/h5-7,10H,1-4,8-9,16H2.
What are the key properties of [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 83969663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).