pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone

C8H10N2OS — CID 130922957

IUPACpyrrolidin-2-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCCN1
InChIInChI=1S/C8H10N2OS/c11-8(6-2-1-3-9-6)7-4-12-5-10-7/h4-6,9H,1-3H2
InChIKeyPTXDJQGUHNEIQF-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.08
Rot. Bonds2

About pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone

pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone (PubChem CID 130922957) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-2-yl(1,3-thiazol-4-yl)methanone
PubChem CID130922957
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Namepyrrolidin-2-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCCN1
InChIInChI=1S/C8H10N2OS/c11-8(6-2-1-3-9-6)7-4-12-5-10-7/h4-6,9H,1-3H2
InChIKeyPTXDJQGUHNEIQF-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butan-1-one
CID 112485141
1-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-5,5,5-trifluoropentan-1-one
CID 116585538
2-[5-Oxo-5-(1,3-thiazol-4-yl)pentyl]guanidine
CID 53893618
(2S)-2-amino-1-(1,3-thiazol-4-yl)pentan-3-one
CID 58135690
(3S)-3-(methylamino)-4-(1,3-thiazol-4-yl)butan-2-one
CID 58904361
(3-Aminopyrrolidin-3-yl)-(1,3-thiazol-4-yl)methanone
CID 67512317
2-Amino-1-(1,3-thiazol-4-yl)pentan-3-one
CID 67556918
(2S)-4-methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
CID 67680143
2-(Ethylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
CID 68250104
(2S)-3-(1,3-thiazol-4-yl)pyrrolidine-2-carboxamide
CID 69714559
3-(Methylamino)-4-(1,3-thiazol-4-yl)butan-2-one
CID 70303941
4-Methyl-2-(propan-2-ylamino)-1-(1,3-thiazol-4-yl)pentan-3-one
CID 77334983

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone (CID 130922957) is pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)C1CCCN1.
What is the InChIKey of pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is PTXDJQGUHNEIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8(6-2-1-3-9-6)7-4-12-5-10-7/h4-6,9H,1-3H2.
What are the key properties of pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone?
pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 182.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130922957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).