tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate

C18H22N2O2S — CID 139630017

IUPACtert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate
SMILESCCC1C=C(c2csc3ncccc23)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H22N2O2S/c1-5-13-9-12(10-20(13)17(21)22-18(2,3)4)15-11-23-16-14(15)7-6-8-19-16/h6-9,11,13H,5,10H2,1-4H3
InChIKeyASXUARWOSPRVHB-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.71
Rot. Bonds2

About tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate

tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate (PubChem CID 139630017) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate
PubChem CID139630017
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Nametert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate
SMILESCCC1C=C(c2csc3ncccc23)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H22N2O2S/c1-5-13-9-12(10-20(13)17(21)22-18(2,3)4)15-11-23-16-14(15)7-6-8-19-16/h6-9,11,13H,5,10H2,1-4H3
InChIKeyASXUARWOSPRVHB-UHFFFAOYSA-N
XLogP4.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
CID 139629992
tert-butyl 2-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-2,5-dihydropyrrole-1-carboxylate
CID 175438688
tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
CID 139629976
tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
CID 15342494
tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 162342912
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate
CID 164883537
tert-butyl 2-(2-methylsulfinylthieno[2,3-b]pyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 68521240
tert-butyl pyrido[2,3-b]indole-9-carboxylate
CID 141177264
tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate
CID 91004541
tert-butyl 7-[2-(trifluoromethyl)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171970341

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate (CID 139630017) is tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate is CCC1C=C(c2csc3ncccc23)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is ASXUARWOSPRVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-5-13-9-12(10-20(13)17(21)22-18(2,3)4)15-11-23-16-14(15)7-6-8-19-16/h6-9,11,13H,5,10H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate?
tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 330.45 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-thieno[2,3-b]pyridin-3-yl-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 139630017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).