tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin

C18H22N2O2SSn — CID 176894903

IUPACtert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin
SMILESCN1CC[C@@](O)(c2cccc(-c3nc([Sn]C(C)(C)C)cs3)c2)C1=O
InChIInChI=1S/C14H13N2O2S.C4H9.Sn/c1-16-7-5-14(18,13(16)17)11-4-2-3-10(9-11)12-15-6-8-19-12;1-4(2)3;/h2-4,8-9,18H,5,7H2,1H3;1-3H3;/t14-;;/m1../s1
InChIKeyIKRBJRPMXALDCO-FMOMHUKBSA-N
MW449.16 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin

tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin (PubChem CID 176894903) has the molecular formula C18H22N2O2SSn and a molecular weight of 449.16 g/mol. Its IUPAC name is tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin.

Molecular Properties

Compound Nametert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin
PubChem CID176894903
Molecular FormulaC18H22N2O2SSn
Molecular Weight449.16 g/mol
Exact Mass450.04
IUPAC Nametert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin
SMILESCN1CC[C@@](O)(c2cccc(-c3nc([Sn]C(C)(C)C)cs3)c2)C1=O
InChIInChI=1S/C14H13N2O2S.C4H9.Sn/c1-16-7-5-14(18,13(16)17)11-4-2-3-10(9-11)12-15-6-8-19-12;1-4(2)3;/h2-4,8-9,18H,5,7H2,1H3;1-3H3;/t14-;;/m1../s1
InChIKeyIKRBJRPMXALDCO-FMOMHUKBSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 163303165
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573842
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574297
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-1,3-oxazol-5-yl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170405260
3-[3-[4-(2-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 174200448
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(5-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574376
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-(3-methylsulfonylpropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573725
3-[3-[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 174200257
3-hydroxy-1-methyl-3-[3-[4-[2-[2-(1-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573741
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573991
3-hydroxy-1-methyl-3-[3-[4-[2-[1-(3-methylimidazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574034
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin?
The IUPAC name of tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin (CID 176894903) is tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin.
What is the SMILES notation for tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin?
The canonical SMILES for tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin is CN1CC[C@@](O)(c2cccc(-c3nc([Sn]C(C)(C)C)cs3)c2)C1=O.
What is the InChIKey of tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin?
The InChIKey is IKRBJRPMXALDCO-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H13N2O2S.C4H9.Sn/c1-16-7-5-14(18,13(16)17)11-4-2-3-10(9-11)12-15-6-8-19-12;1-4(2)3;/h2-4,8-9,18H,5,7H2,1H3;1-3H3;/t14-;;/m1../s1.
What are the key properties of tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin?
tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin has a molecular weight of 449.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin is sourced from PubChem (CID 176894903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).