2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile

C11H16N2S — CID 65379325

IUPAC2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
SMILESCCC(C)(C#N)CCc1scnc1C
InChIInChI=1S/C11H16N2S/c1-4-11(3,7-12)6-5-10-9(2)13-8-14-10/h8H,4-6H2,1-3H3
InChIKeyXPLVEJFZULXIKQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.32
Rot. Bonds4

About 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile

2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile (PubChem CID 65379325) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
PubChem CID65379325
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
SMILESCCC(C)(C#N)CCc1scnc1C
InChIInChI=1S/C11H16N2S/c1-4-11(3,7-12)6-5-10-9(2)13-8-14-10/h8H,4-6H2,1-3H3
InChIKeyXPLVEJFZULXIKQ-UHFFFAOYSA-N
XLogP3.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
ethyl 2-cyano-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoate
CID 114290119
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
2,2-dimethyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentanenitrile
CID 65257542
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
CID 106710371
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
N-ethyl-2-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102640727
diethyl 2-ethyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanedioate
CID 103972970
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-ethyl-N-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 55106894

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile?
The IUPAC name of 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile (CID 65379325) is 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile?
The canonical SMILES for 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile is CCC(C)(C#N)CCc1scnc1C.
What is the InChIKey of 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile?
The InChIKey is XPLVEJFZULXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-11(3,7-12)6-5-10-9(2)13-8-14-10/h8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile?
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile has a molecular weight of 208.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile is sourced from PubChem (CID 65379325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).