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

C15H18N2OS — CID 115732237

IUPAC6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCc1cncs1
InChIInChI=1S/C15H18N2OS/c1-18-12-5-6-14-11(7-12)3-2-4-15(14)17-9-13-8-16-10-19-13/h5-8,10,15,17H,2-4,9H2,1H3
InChIKeyMYUVXWRYDYPZRJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.32
Rot. Bonds4

About 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115732237) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115732237
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCc1cncs1
InChIInChI=1S/C15H18N2OS/c1-18-12-5-6-14-11(7-12)3-2-4-15(14)17-9-13-8-16-10-19-13/h5-8,10,15,17H,2-4,9H2,1H3
InChIKeyMYUVXWRYDYPZRJ-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115732237) is 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCc1cncs1.
What is the InChIKey of 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MYUVXWRYDYPZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-12-5-6-14-11(7-12)3-2-4-15(14)17-9-13-8-16-10-19-13/h5-8,10,15,17H,2-4,9H2,1H3.
What are the key properties of 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115732237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).