5-naphthalen-1-yl-1,3-thiazol-2-amine

C13H10N2S — CID 17015170

IUPAC5-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc3ccccc23)s1
InChIInChI=1S/C13H10N2S/c14-13-15-8-12(16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15)
InChIKeyRWAIGCIAZHFMEJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.55
Rot. Bonds1

About 5-naphthalen-1-yl-1,3-thiazol-2-amine

5-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 17015170) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID17015170
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name5-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc3ccccc23)s1
InChIInChI=1S/C13H10N2S/c14-13-15-8-12(16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15)
InChIKeyRWAIGCIAZHFMEJ-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-naphthalen-1-yl-1,3-thiazol-2-amine (CID 17015170) is 5-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-naphthalen-1-yl-1,3-thiazol-2-amine is Nc1ncc(-c2cccc3ccccc23)s1.
What is the InChIKey of 5-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is RWAIGCIAZHFMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c14-13-15-8-12(16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15).
What are the key properties of 5-naphthalen-1-yl-1,3-thiazol-2-amine?
5-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 226.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 17015170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).