4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine

C14H16N2OS — CID 11586977

IUPAC4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc2c1CCC(c1csc(N)n1)C2
InChIInChI=1S/C14H16N2OS/c1-17-13-4-2-3-9-7-10(5-6-11(9)13)12-8-18-14(15)16-12/h2-4,8,10H,5-7H2,1H3,(H2,15,16)
InChIKeyBARDAFLTBKNFMR-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.01
Rot. Bonds2

About 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine

4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine (PubChem CID 11586977) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
PubChem CID11586977
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc2c1CCC(c1csc(N)n1)C2
InChIInChI=1S/C14H16N2OS/c1-17-13-4-2-3-9-7-10(5-6-11(9)13)12-8-18-14(15)16-12/h2-4,8,10H,5-7H2,1H3,(H2,15,16)
InChIKeyBARDAFLTBKNFMR-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine (CID 11586977) is 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine is COc1cccc2c1CCC(c1csc(N)n1)C2.
What is the InChIKey of 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is BARDAFLTBKNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-13-4-2-3-9-7-10(5-6-11(9)13)12-8-18-14(15)16-12/h2-4,8,10H,5-7H2,1H3,(H2,15,16).
What are the key properties of 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine?
4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11586977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).