4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine

C14H12N2S — CID 692856

IUPAC4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
InChIKeyQNKLFDFMOINNIW-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.35
Rot. Bonds2

About 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine

4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 692856) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID692856
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
InChIKeyQNKLFDFMOINNIW-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine (CID 692856) is 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine is Cc1csc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is QNKLFDFMOINNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16).
What are the key properties of 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine?
4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 240.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 692856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).