2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile

C17H14N2S — CID 103097257

IUPAC2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
SMILESCC(C)(C#N)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C17H14N2S/c1-17(2,11-18)16-19-15(10-20-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3
InChIKeyCBAJZUVHMVMTRG-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.76
Rot. Bonds2

About 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile

2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile (PubChem CID 103097257) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
PubChem CID103097257
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
SMILESCC(C)(C#N)c1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C17H14N2S/c1-17(2,11-18)16-19-15(10-20-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3
InChIKeyCBAJZUVHMVMTRG-UHFFFAOYSA-N
XLogP4.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile (CID 103097257) is 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile is CC(C)(C#N)c1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile?
The InChIKey is CBAJZUVHMVMTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-17(2,11-18)16-19-15(10-20-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3.
What are the key properties of 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile?
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile has a molecular weight of 278.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile is sourced from PubChem (CID 103097257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).