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

C19H14N2S — CID 4015979

IUPACN-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
InChIKeyJWZVJRBKXQFLBH-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.71
Rot. Bonds3

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

N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 4015979) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine
PubChem CID4015979
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC NameN-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
InChIKeyJWZVJRBKXQFLBH-UHFFFAOYSA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine (CID 4015979) is N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1.
What is the InChIKey of N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is JWZVJRBKXQFLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21).
What are the key properties of N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine?
N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 302.40 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4015979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).