(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

C14H16N2O2S — CID 62916930

IUPAC(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
SMILESO=C(C1CSC(c2ccccc2)=N1)N1CCC(O)C1
InChIInChI=1S/C14H16N2O2S/c17-11-6-7-16(8-11)14(18)12-9-19-13(15-12)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2
InChIKeyYULPYKCOUYJEFT-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.14
Rot. Bonds2

About (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone (PubChem CID 62916930) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
PubChem CID62916930
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
SMILESO=C(C1CSC(c2ccccc2)=N1)N1CCC(O)C1
InChIInChI=1S/C14H16N2O2S/c17-11-6-7-16(8-11)14(18)12-9-19-13(15-12)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2
InChIKeyYULPYKCOUYJEFT-UHFFFAOYSA-N
XLogP1.14
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone (CID 62916930) is (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone is O=C(C1CSC(c2ccccc2)=N1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The InChIKey is YULPYKCOUYJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-11-6-7-16(8-11)14(18)12-9-19-13(15-12)10-4-2-1-3-5-10/h1-5,11-12,17H,6-9H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 62916930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).