(2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone

C9H12N2OS — CID 130986287

IUPAC(2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone
SMILESCC1NCCC1C(=O)c1ccns1
InChIInChI=1S/C9H12N2OS/c1-6-7(2-4-10-6)9(12)8-3-5-11-13-8/h3,5-7,10H,2,4H2,1H3
InChIKeyFADJBBJZDKNEHT-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.32
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone

(2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone (PubChem CID 130986287) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone
PubChem CID130986287
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone
SMILESCC1NCCC1C(=O)c1ccns1
InChIInChI=1S/C9H12N2OS/c1-6-7(2-4-10-6)9(12)8-3-5-11-13-8/h3,5-7,10H,2,4H2,1H3
InChIKeyFADJBBJZDKNEHT-UHFFFAOYSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone (CID 130986287) is (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone is CC1NCCC1C(=O)c1ccns1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone?
The InChIKey is FADJBBJZDKNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-7(2-4-10-6)9(12)8-3-5-11-13-8/h3,5-7,10H,2,4H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone?
(2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 130986287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).