2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile

C9H11N3S — CID 130666209

IUPAC2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
SMILESN#CCN1CCCC1c1nccs1
InChIInChI=1S/C9H11N3S/c10-3-6-12-5-1-2-8(12)9-11-4-7-13-9/h4,7-8H,1-2,5-6H2
InChIKeyPGQAZFLYHDABGX-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.80
Rot. Bonds2

About 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile

2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile (PubChem CID 130666209) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
PubChem CID130666209
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
SMILESN#CCN1CCCC1c1nccs1
InChIInChI=1S/C9H11N3S/c10-3-6-12-5-1-2-8(12)9-11-4-7-13-9/h4,7-8H,1-2,5-6H2
InChIKeyPGQAZFLYHDABGX-UHFFFAOYSA-N
XLogP1.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]-1,3-thiazole
CID 122139894
2-[(2R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99927338
2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 45209217
2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99932250
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 120982588
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124615998
6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile (CID 130666209) is 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile is N#CCN1CCCC1c1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile?
The InChIKey is PGQAZFLYHDABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-3-6-12-5-1-2-8(12)9-11-4-7-13-9/h4,7-8H,1-2,5-6H2.
What are the key properties of 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile?
2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile has a molecular weight of 193.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile is sourced from PubChem (CID 130666209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).