2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile

C15H14N2OS — CID 103097215

IUPAC2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile
SMILESCOc1ccc2c(c1)-c1nc(C(C)(C)C#N)sc1C2
InChIInChI=1S/C15H14N2OS/c1-15(2,8-16)14-17-13-11-7-10(18-3)5-4-9(11)6-12(13)19-14/h4-5,7H,6H2,1-3H3
InChIKeyJRNBUMWVZFXIAA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.52
Rot. Bonds2

About 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile

2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile (PubChem CID 103097215) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile
PubChem CID103097215
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile
SMILESCOc1ccc2c(c1)-c1nc(C(C)(C)C#N)sc1C2
InChIInChI=1S/C15H14N2OS/c1-15(2,8-16)14-17-13-11-7-10(18-3)5-4-9(11)6-12(13)19-14/h4-5,7H,6H2,1-3H3
InChIKeyJRNBUMWVZFXIAA-UHFFFAOYSA-N
XLogP3.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile (CID 103097215) is 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile is COc1ccc2c(c1)-c1nc(C(C)(C)C#N)sc1C2.
What is the InChIKey of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile?
The InChIKey is JRNBUMWVZFXIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-15(2,8-16)14-17-13-11-7-10(18-3)5-4-9(11)6-12(13)19-14/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile?
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile has a molecular weight of 270.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 103097215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).