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

C19H23N3O4S — CID 163303165

IUPACtert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate
SMILESCN1CCC(O)(c2cccc(-c3csc(NC(=O)OC(C)(C)C)n3)c2)C1=O
InChIInChI=1S/C19H23N3O4S/c1-18(2,3)26-17(24)21-16-20-14(11-27-16)12-6-5-7-13(10-12)19(25)8-9-22(4)15(19)23/h5-7,10-11,25H,8-9H2,1-4H3,(H,20,21,24)
InChIKeyYPLBFXJZDLFNIN-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.21
Rot. Bonds3

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

tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 163303165) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate
PubChem CID163303165
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Nametert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate
SMILESCN1CCC(O)(c2cccc(-c3csc(NC(=O)OC(C)(C)C)n3)c2)C1=O
InChIInChI=1S/C19H23N3O4S/c1-18(2,3)26-17(24)21-16-20-14(11-27-16)12-6-5-7-13(10-12)19(25)8-9-22(4)15(19)23/h5-7,10-11,25H,8-9H2,1-4H3,(H,20,21,24)
InChIKeyYPLBFXJZDLFNIN-UHFFFAOYSA-N
XLogP3.21
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin
CID 176894903
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
(3R)-3-[3-[2-(2-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303186
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
tert-butyl N-[4-[3-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]phenyl]-1,3-thiazol-2-yl]carbamate
CID 88907188
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
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
tert-butyl N-[2-[[4-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 154669134
(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
tert-butyl N-[4-(3-amino-4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 59736955

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate (CID 163303165) is tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate is CN1CCC(O)(c2cccc(-c3csc(NC(=O)OC(C)(C)C)n3)c2)C1=O.
What is the InChIKey of tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is YPLBFXJZDLFNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-18(2,3)26-17(24)21-16-20-14(11-27-16)12-6-5-7-13(10-12)19(25)8-9-22(4)15(19)23/h5-7,10-11,25H,8-9H2,1-4H3,(H,20,21,24).
What are the key properties of tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 389.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 163303165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).