pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone

C8H10N2OS — CID 130670441

IUPACpyrrolidin-3-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCNC1
InChIInChI=1S/C8H10N2OS/c11-8(6-1-2-9-3-6)7-4-12-5-10-7/h4-6,9H,1-3H2
InChIKeyXHPCOYROCSEFHN-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.94
Rot. Bonds2

About pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone

pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone (PubChem CID 130670441) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl(1,3-thiazol-4-yl)methanone
PubChem CID130670441
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Namepyrrolidin-3-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCNC1
InChIInChI=1S/C8H10N2OS/c11-8(6-1-2-9-3-6)7-4-12-5-10-7/h4-6,9H,1-3H2
InChIKeyXHPCOYROCSEFHN-UHFFFAOYSA-N
XLogP0.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-(1,3-thiazol-4-YL)butan-1-one
CID 58125181
(3-Aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone
CID 67512317
(3-Piperidin-4-ylazetidin-3-yl)-(1,3-thiazol-4-yl)methanone
CID 67512848
(2S)-4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
CID 67680143
4-Methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
CID 77334983
2-Methyl-1-(1,3-thiazol-4-yl)butan-1-one
CID 80491265
Pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone
CID 130922957
(2-Methylpiperazin-2-yl)-(1,3-thiazol-4-yl)methanone
CID 169783938
[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-4-yl)methanone
CID 173237202
3-Methyl-1-(1,3-thiazol-4-yl)pentan-1-one
CID 80490420
Cyclopentyl(1,3-thiazol-4-yl)methanone
CID 80490909
2-Ethyl-1-(1,3-thiazol-4-yl)butan-1-one
CID 80491141

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone (CID 130670441) is pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is XHPCOYROCSEFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8(6-1-2-9-3-6)7-4-12-5-10-7/h4-6,9H,1-3H2.
What are the key properties of pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone?
pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 182.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130670441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).