4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine

C14H12N2OS — CID 4678909

IUPAC4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2ccccc2c1-c1csc(N)n1
InChIInChI=1S/C14H12N2OS/c1-17-12-7-6-9-4-2-3-5-10(9)13(12)11-8-18-14(15)16-11/h2-8H,1H3,(H2,15,16)
InChIKeyXNLICULCURDRDU-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.55
Rot. Bonds2

About 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine

4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine (PubChem CID 4678909) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine
PubChem CID4678909
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2ccccc2c1-c1csc(N)n1
InChIInChI=1S/C14H12N2OS/c1-17-12-7-6-9-4-2-3-5-10(9)13(12)11-8-18-14(15)16-11/h2-8H,1H3,(H2,15,16)
InChIKeyXNLICULCURDRDU-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine (CID 4678909) is 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine is COc1ccc2ccccc2c1-c1csc(N)n1.
What is the InChIKey of 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine?
The InChIKey is XNLICULCURDRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-12-7-6-9-4-2-3-5-10(9)13(12)11-8-18-14(15)16-11/h2-8H,1H3,(H2,15,16).
What are the key properties of 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine?
4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxynaphthalen-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4678909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).