1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone

C9H12N2OS — CID 116568336

IUPAC1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCNC1
InChIInChI=1S/C9H12N2OS/c12-9(7-1-2-10-4-7)3-8-5-11-6-13-8/h5-7,10H,1-4H2
InChIKeyDOIOSXKIQFFLRV-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.86
Rot. Bonds3

About 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone

1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116568336) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116568336
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCNC1
InChIInChI=1S/C9H12N2OS/c12-9(7-1-2-10-4-7)3-8-5-11-6-13-8/h5-7,10H,1-4H2
InChIKeyDOIOSXKIQFFLRV-UHFFFAOYSA-N
XLogP0.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642454
2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568289
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
1-(1,2,3,4-tetrahydroquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 116598213
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone (CID 116568336) is 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is DOIOSXKIQFFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(7-1-2-10-4-7)3-8-5-11-6-13-8/h5-7,10H,1-4H2.
What are the key properties of 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone?
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 196.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116568336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).