tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate

C17H20N2O3S — CID 139629992

IUPACtert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2csc3ncccc23)=CC1O
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)22-16(21)19-13-7-10(8-14(13)20)12-9-23-15-11(12)5-4-6-18-15/h4-6,8-9,13-14,20H,7H2,1-3H3,(H,19,21)
InChIKeyKOLZQSGRBWLCJL-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate

tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate (PubChem CID 139629992) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
PubChem CID139629992
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nametert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(c2csc3ncccc23)=CC1O
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)22-16(21)19-13-7-10(8-14(13)20)12-9-23-15-11(12)5-4-6-18-15/h4-6,8-9,13-14,20H,7H2,1-3H3,(H,19,21)
InChIKeyKOLZQSGRBWLCJL-UHFFFAOYSA-N
XLogP3.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
CID 139629976
tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate
CID 139630017
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
CID 15342494
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide
CID 177336232
tert-butyl N-[(1R)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohex-3-en-1-yl]carbamate
CID 99645986
tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 178015225
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[(3R,4R,6R)-3,6-dihydroxy-1-(3-methylpyridine-2-carbonyl)azepan-4-yl]carbamate
CID 110153642
tert-butyl N-[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl]carbamate
CID 86639535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate (CID 139629992) is tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1CC(c2csc3ncccc23)=CC1O.
What is the InChIKey of tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate?
The InChIKey is KOLZQSGRBWLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-17(2,3)22-16(21)19-13-7-10(8-14(13)20)12-9-23-15-11(12)5-4-6-18-15/h4-6,8-9,13-14,20H,7H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate?
tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate has a molecular weight of 332.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate is sourced from PubChem (CID 139629992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).