2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone

C9H14N2OS2 — CID 2402789

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CSC1=NCCS1)N1CCCC1
InChIInChI=1S/C9H14N2OS2/c12-8(11-4-1-2-5-11)7-14-9-10-3-6-13-9/h1-7H2
InChIKeyAEXDILAFABJTEJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.44
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone (PubChem CID 2402789) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
PubChem CID2402789
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CSC1=NCCS1)N1CCCC1
InChIInChI=1S/C9H14N2OS2/c12-8(11-4-1-2-5-11)7-14-9-10-3-6-13-9/h1-7H2
InChIKeyAEXDILAFABJTEJ-UHFFFAOYSA-N
XLogP1.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone (CID 2402789) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone is O=C(CSC1=NCCS1)N1CCCC1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is AEXDILAFABJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c12-8(11-4-1-2-5-11)7-14-9-10-3-6-13-9/h1-7H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 230.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2402789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).