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

C8H10N2OS — CID 170766527

IUPACpyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
SMILESO=C(c1ccsn1)N1CCCC1
InChIInChI=1S/C8H10N2OS/c11-8(7-3-6-12-9-7)10-4-1-2-5-10/h3,6H,1-2,4-5H2
InChIKeyQCCQJMJUXHSLOM-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.38
Rot. Bonds1

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

pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone (PubChem CID 170766527) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
PubChem CID170766527
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Namepyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
SMILESO=C(c1ccsn1)N1CCCC1
InChIInChI=1S/C8H10N2OS/c11-8(7-3-6-12-9-7)10-4-1-2-5-10/h3,6H,1-2,4-5H2
InChIKeyQCCQJMJUXHSLOM-UHFFFAOYSA-N
XLogP1.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone (CID 170766527) is pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone is O=C(c1ccsn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
The InChIKey is QCCQJMJUXHSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-8(7-3-6-12-9-7)10-4-1-2-5-10/h3,6H,1-2,4-5H2.
What are the key properties of pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone?
pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone has a molecular weight of 182.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 170766527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).