1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one

C11H14N2O2S — CID 79541640

IUPAC1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1cscn1
InChIInChI=1S/C11H14N2O2S/c1-8(14)5-9-3-2-4-13(9)11(15)10-6-16-7-12-10/h6-7,9H,2-5H2,1H3
InChIKeyZDIDHGLMPWFPOL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.73
Rot. Bonds3

About 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79541640) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79541640
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1cscn1
InChIInChI=1S/C11H14N2O2S/c1-8(14)5-9-3-2-4-13(9)11(15)10-6-16-7-12-10/h6-7,9H,2-5H2,1H3
InChIKeyZDIDHGLMPWFPOL-UHFFFAOYSA-N
XLogP1.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 79549025
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110135382
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79541640) is 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)c1cscn1.
What is the InChIKey of 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is ZDIDHGLMPWFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(14)5-9-3-2-4-13(9)11(15)10-6-16-7-12-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79541640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).