2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile

C11H15N3S — CID 82430941

IUPAC2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile
SMILESCCc1nc(N2CCCC2)sc1CC#N
InChIInChI=1S/C11H15N3S/c1-2-9-10(5-6-12)15-11(13-9)14-7-3-4-8-14/h2-5,7-8H2,1H3
InChIKeyNJDJMUDPGUWEHH-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile

2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 82430941) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile
PubChem CID82430941
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile
SMILESCCc1nc(N2CCCC2)sc1CC#N
InChIInChI=1S/C11H15N3S/c1-2-9-10(5-6-12)15-11(13-9)14-7-3-4-8-14/h2-5,7-8H2,1H3
InChIKeyNJDJMUDPGUWEHH-UHFFFAOYSA-N
XLogP2.37
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(azepan-1-yl)-4-tert-butyl-1,3-thiazol-5-yl]acetonitrile
CID 82439768
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63161251
(4-ethyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanol
CID 62778641
1-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 62764992
2-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82427908
2-(azepan-1-yl)-4-ethyl-1,3-thiazole-5-carboximidamide
CID 82431120
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
1-[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 55117606
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82429602
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile (CID 82430941) is 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile is CCc1nc(N2CCCC2)sc1CC#N.
What is the InChIKey of 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is NJDJMUDPGUWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-9-10(5-6-12)15-11(13-9)14-7-3-4-8-14/h2-5,7-8H2,1H3.
What are the key properties of 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile?
2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 221.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82430941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).