N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H18N2S — CID 134791873

IUPACN-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(Cc1cncs1)C1CCCc2ccccc21
InChIInChI=1S/C15H18N2S/c1-17(10-13-9-16-11-18-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9,11,15H,4,6,8,10H2,1H3
InChIKeyRULBHQWPAVBCDP-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.65
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134791873) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134791873
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(Cc1cncs1)C1CCCc2ccccc21
InChIInChI=1S/C15H18N2S/c1-17(10-13-9-16-11-18-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9,11,15H,4,6,8,10H2,1H3
InChIKeyRULBHQWPAVBCDP-UHFFFAOYSA-N
XLogP3.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134791873) is N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CN(Cc1cncs1)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RULBHQWPAVBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-17(10-13-9-16-11-18-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9,11,15H,4,6,8,10H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134791873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).