tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate

C20H19NO2S — CID 141024155

IUPACtert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc2c(/C=C\c3ccccc3)cncc2s1
InChIInChI=1S/C20H19NO2S/c1-20(2,3)23-19(22)17-11-16-15(12-21-13-18(16)24-17)10-9-14-7-5-4-6-8-14/h4-13H,1-3H3/b10-9-
InChIKeyCPNWGCRZUILAHY-KTKRTIGZSA-N
MW337.44 g/mol
LogP5.42
Rot. Bonds3

About tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate

tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 141024155) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate
PubChem CID141024155
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Nametert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc2c(/C=C\c3ccccc3)cncc2s1
InChIInChI=1S/C20H19NO2S/c1-20(2,3)23-19(22)17-11-16-15(12-21-13-18(16)24-17)10-9-14-7-5-4-6-8-14/h4-13H,1-3H3/b10-9-
InChIKeyCPNWGCRZUILAHY-KTKRTIGZSA-N
XLogP5.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
CID 166604363
4-bromothieno[2,3-c]pyridine-2-carboxylic acid;ethane
CID 167523093
methyl 4-[(E)-3-phenylprop-2-enyl]-1-benzothiophene-2-carboxylate
CID 19007343
tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate
CID 169101294
tert-butyl 5-formyl-1-benzothiophene-2-carboxylate
CID 168980989
ethyl 2-amino-4-(2-phenylethenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 68595341
CID 162139404
CID 162139404
methyl 4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-benzothiophene-2-carboxylate
CID 19007728
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid
CID 150499338
4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 20594232
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450
4-phenylthieno[2,3-c]pyridine-2-carboxamide;propane
CID 91467405

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate (CID 141024155) is tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1cc2c(/C=C\c3ccccc3)cncc2s1.
What is the InChIKey of tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is CPNWGCRZUILAHY-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-20(2,3)23-19(22)17-11-16-15(12-21-13-18(16)24-17)10-9-14-7-5-4-6-8-14/h4-13H,1-3H3/b10-9-.
What are the key properties of tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate?
tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-2-phenylethenyl]thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 141024155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).