1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone

C10H14N2OS — CID 18682297

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ncc(C)s1
InChIInChI=1S/C10H14N2OS/c1-7-6-11-10(14-7)9-4-3-5-12(9)8(2)13/h6,9H,3-5H2,1-2H3
InChIKeyRIQSEWNUJIHPOJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.13
Rot. Bonds1

About 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone

1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 18682297) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID18682297
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ncc(C)s1
InChIInChI=1S/C10H14N2OS/c1-7-6-11-10(14-7)9-4-3-5-12(9)8(2)13/h6,9H,3-5H2,1-2H3
InChIKeyRIQSEWNUJIHPOJ-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone (CID 18682297) is 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ncc(C)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RIQSEWNUJIHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-6-11-10(14-7)9-4-3-5-12(9)8(2)13/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 210.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 18682297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).