(2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone

C11H16N2OS — CID 58088131

IUPAC(2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ncc(C(=O)N2CCCC2)s1
InChIInChI=1S/C11H16N2OS/c1-8(2)10-12-7-9(15-10)11(14)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3
InChIKeyPFKGAFVNKCHCNF-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.50
Rot. Bonds2

About (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone

(2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 58088131) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID58088131
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ncc(C(=O)N2CCCC2)s1
InChIInChI=1S/C11H16N2OS/c1-8(2)10-12-7-9(15-10)11(14)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3
InChIKeyPFKGAFVNKCHCNF-UHFFFAOYSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone (CID 58088131) is (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone is CC(C)c1ncc(C(=O)N2CCCC2)s1.
What is the InChIKey of (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is PFKGAFVNKCHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)10-12-7-9(15-10)11(14)13-5-3-4-6-13/h7-8H,3-6H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 224.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58088131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).