4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine

C15H14N2OS — CID 62082718

IUPAC4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
SMILESCOc1ccc2ccccc2c1-c1nc(C)sc1N
InChIInChI=1S/C15H14N2OS/c1-9-17-14(15(16)19-9)13-11-6-4-3-5-10(11)7-8-12(13)18-2/h3-8H,16H2,1-2H3
InChIKeyJNRDNXFOJZZQTB-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.86
Rot. Bonds2

About 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine

4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine (PubChem CID 62082718) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
PubChem CID62082718
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
SMILESCOc1ccc2ccccc2c1-c1nc(C)sc1N
InChIInChI=1S/C15H14N2OS/c1-9-17-14(15(16)19-9)13-11-6-4-3-5-10(11)7-8-12(13)18-2/h3-8H,16H2,1-2H3
InChIKeyJNRDNXFOJZZQTB-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.86
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)-2-methyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine (CID 62082718) is 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine is COc1ccc2ccccc2c1-c1nc(C)sc1N.
What is the InChIKey of 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine?
The InChIKey is JNRDNXFOJZZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-17-14(15(16)19-9)13-11-6-4-3-5-10(11)7-8-12(13)18-2/h3-8H,16H2,1-2H3.
What are the key properties of 4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine?
4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine has a molecular weight of 270.36 g/mol, XLogP of 3.86, 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)-2-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62082718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).