ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate

C11H8BrN3O2S — CID 171568049

IUPACethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1sc2c(Br)cncc2c1C#N
InChIInChI=1S/C11H8BrN3O2S/c1-2-17-11(16)15-10-6(3-13)7-4-14-5-8(12)9(7)18-10/h4-5H,2H2,1H3,(H,15,16)
InChIKeyQAARKDMTHHRNQS-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.50
Rot. Bonds2

About ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate

ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate (PubChem CID 171568049) has the molecular formula C11H8BrN3O2S and a molecular weight of 326.18 g/mol. Its IUPAC name is ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate
PubChem CID171568049
Molecular FormulaC11H8BrN3O2S
Molecular Weight326.18 g/mol
Exact Mass324.95
IUPAC Nameethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1sc2c(Br)cncc2c1C#N
InChIInChI=1S/C11H8BrN3O2S/c1-2-17-11(16)15-10-6(3-13)7-4-14-5-8(12)9(7)18-10/h4-5H,2H2,1H3,(H,15,16)
InChIKeyQAARKDMTHHRNQS-UHFFFAOYSA-N
XLogP3.50
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(4-bromo-3-cyano-5,7-difluoro-1-benzothiophen-2-yl)carbamate
CID 170967699
(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid
CID 170165248
4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-ethylpyrazole-5-carboxamide
CID 19579461
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl 5-[(6-chloropyridine-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 71580268
ethyl 5-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 1191383
ethyl N-(3-cyano-5-ethyl-4-methyl-1H-pyrrol-2-yl)carbamate
CID 12539211
ethyl 4-cyano-3-methyl-5-[[(Z)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 92900725
ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 731725
methyl 3-(5-bromo-4-cyano-3-pyridinyl)propanoate
CID 25213091
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)carbamate
CID 15149173

Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate?
The IUPAC name of ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate (CID 171568049) is ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate?
The canonical SMILES for ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate is CCOC(=O)Nc1sc2c(Br)cncc2c1C#N.
What is the InChIKey of ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate?
The InChIKey is QAARKDMTHHRNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2S/c1-2-17-11(16)15-10-6(3-13)7-4-14-5-8(12)9(7)18-10/h4-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate?
ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate has a molecular weight of 326.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-bromo-3-cyanothieno[3,2-c]pyridin-2-yl)carbamate is sourced from PubChem (CID 171568049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).