N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine

C14H12N2S — CID 4711877

IUPACN-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc2c(CNc3nccs3)cccc2c1
InChIInChI=1S/C14H12N2S/c1-2-7-13-11(4-1)5-3-6-12(13)10-16-14-15-8-9-17-14/h1-9H,10H2,(H,15,16)
InChIKeySTSUMGFRLXWKMY-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine

N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 4711877) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID4711877
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc2c(CNc3nccs3)cccc2c1
InChIInChI=1S/C14H12N2S/c1-2-7-13-11(4-1)5-3-6-12(13)10-16-14-15-8-9-17-14/h1-9H,10H2,(H,15,16)
InChIKeySTSUMGFRLXWKMY-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine (CID 4711877) is N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine is c1ccc2c(CNc3nccs3)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is STSUMGFRLXWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-7-13-11(4-1)5-3-6-12(13)10-16-14-15-8-9-17-14/h1-9H,10H2,(H,15,16).
What are the key properties of N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 240.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4711877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).