5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile

C15H11N3S — CID 70701468

IUPAC5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile
SMILESCNc1sc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C15H11N3S/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
InChIKeyNKRUURKJNKWXSA-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.88
Rot. Bonds2

About 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile

5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile (PubChem CID 70701468) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile
PubChem CID70701468
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile
SMILESCNc1sc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C15H11N3S/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
InChIKeyNKRUURKJNKWXSA-UHFFFAOYSA-N
XLogP3.88
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile (CID 70701468) is 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile is CNc1sc(-c2cccc3ccccc23)nc1C#N.
What is the InChIKey of 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile?
The InChIKey is NKRUURKJNKWXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3.
What are the key properties of 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile?
5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile has a molecular weight of 265.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-naphthalen-1-yl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 70701468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).