2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile

C10H14N2OS — CID 130580490

IUPAC2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(O)c1cnc(C)s1
InChIInChI=1S/C10H14N2OS/c1-4-10(3,6-11)9(13)8-5-12-7(2)14-8/h5,9,13H,4H2,1-3H3
InChIKeyJQRAFBLNWGYYCR-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.42
Rot. Bonds3

About 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile

2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile (PubChem CID 130580490) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile
PubChem CID130580490
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(O)c1cnc(C)s1
InChIInChI=1S/C10H14N2OS/c1-4-10(3,6-11)9(13)8-5-12-7(2)14-8/h5,9,13H,4H2,1-3H3
InChIKeyJQRAFBLNWGYYCR-UHFFFAOYSA-N
XLogP2.42
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile?
The IUPAC name of 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile (CID 130580490) is 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile is CCC(C)(C#N)C(O)c1cnc(C)s1.
What is the InChIKey of 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile?
The InChIKey is JQRAFBLNWGYYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-4-10(3,6-11)9(13)8-5-12-7(2)14-8/h5,9,13H,4H2,1-3H3.
What are the key properties of 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile?
2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile has a molecular weight of 210.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(2-methyl-1,3-thiazol-5-yl)methyl]-2-methylbutanenitrile is sourced from PubChem (CID 130580490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).