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

C17H20N2O2S — CID 139629976

IUPACtert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC=C1c1csc2ncccc12
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)21-16(20)19-14-8-4-6-11(14)13-10-22-15-12(13)7-5-9-18-15/h5-7,9-10,14H,4,8H2,1-3H3,(H,19,20)
InChIKeyUTPVGPDAWMTNHV-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.37
Rot. Bonds2

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

tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate (PubChem CID 139629976) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
PubChem CID139629976
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Nametert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC=C1c1csc2ncccc12
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)21-16(20)19-14-8-4-6-11(14)13-10-22-15-12(13)7-5-9-18-15/h5-7,9-10,14H,4,8H2,1-3H3,(H,19,20)
InChIKeyUTPVGPDAWMTNHV-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
CID 139629992
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-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide
CID 177336232
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-[(1R)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohex-3-en-1-yl]carbamate
CID 99645986
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate
CID 143345259

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate?
The IUPAC name of tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate (CID 139629976) is tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate is CC(C)(C)OC(=O)NC1CCC=C1c1csc2ncccc12.
What is the InChIKey of tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate?
The InChIKey is UTPVGPDAWMTNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-17(2,3)21-16(20)19-14-8-4-6-11(14)13-10-22-15-12(13)7-5-9-18-15/h5-7,9-10,14H,4,8H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate?
tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate has a molecular weight of 316.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate is sourced from PubChem (CID 139629976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).