2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile

C9H16N2S — CID 21316398

IUPAC2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile
SMILESCCCCC1(C)NC(C#N)CS1
InChIInChI=1S/C9H16N2S/c1-3-4-5-9(2)11-8(6-10)7-12-9/h8,11H,3-5,7H2,1-2H3
InChIKeyYDYPRYOTBCINOE-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.12
Rot. Bonds3

About 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile

2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile (PubChem CID 21316398) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile
PubChem CID21316398
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile
SMILESCCCCC1(C)NC(C#N)CS1
InChIInChI=1S/C9H16N2S/c1-3-4-5-9(2)11-8(6-10)7-12-9/h8,11H,3-5,7H2,1-2H3
InChIKeyYDYPRYOTBCINOE-UHFFFAOYSA-N
XLogP2.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-octyl-1,3-thiazolidine-4-carbonitrile
CID 21316404
3-butyl-3-methyloxirane-2-carbonitrile
CID 130786664
2-butyl-2-methylthiirane
CID 12666043
4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 10588447
(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 67704629
CID 123789898
CID 123789898
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
(1-pentylcyclopropyl) cyanate
CID 57162275
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
2-butyl-3-chloro-2-methyloxirane
CID 141187882
3-butyl-3-methylazetidine;ethane
CID 145389820

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile (CID 21316398) is 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile is CCCCC1(C)NC(C#N)CS1.
What is the InChIKey of 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is YDYPRYOTBCINOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-3-4-5-9(2)11-8(6-10)7-12-9/h8,11H,3-5,7H2,1-2H3.
What are the key properties of 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile?
2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 184.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methyl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 21316398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).