3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one

C12H18N2O3S — CID 66291430

IUPAC3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H18N2O3S/c1-9-8-18-12(17)14(9)5-2-3-11(16)13-6-4-10(15)7-13/h8,10,15H,2-7H2,1H3/t10-/m1/s1
InChIKeyFUCKCNQQZGQXKU-SNVBAGLBSA-N
MW270.35 g/mol
LogP0.59
Rot. Bonds4

About 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one

3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 66291430) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
PubChem CID66291430
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C12H18N2O3S/c1-9-8-18-12(17)14(9)5-2-3-11(16)13-6-4-10(15)7-13/h8,10,15H,2-7H2,1H3/t10-/m1/s1
InChIKeyFUCKCNQQZGQXKU-SNVBAGLBSA-N
XLogP0.59
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one (CID 66291430) is 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is FUCKCNQQZGQXKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-18-12(17)14(9)5-2-3-11(16)13-6-4-10(15)7-13/h8,10,15H,2-7H2,1H3/t10-/m1/s1.
What are the key properties of 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 270.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 66291430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).