4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile

C13H9N3OS — CID 940372

IUPAC4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile
SMILESCC(=O)n1c2ccccc2c2c(C#N)c(N)sc21
InChIInChI=1S/C13H9N3OS/c1-7(17)16-10-5-3-2-4-8(10)11-9(6-14)12(15)18-13(11)16/h2-5H,15H2,1H3
InChIKeyMWNDPTJQOFRWSV-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.97
Rot. Bonds

About 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile

4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile (PubChem CID 940372) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile.

Molecular Properties

Compound Name4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile
PubChem CID940372
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile
SMILESCC(=O)n1c2ccccc2c2c(C#N)c(N)sc21
InChIInChI=1S/C13H9N3OS/c1-7(17)16-10-5-3-2-4-8(10)11-9(6-14)12(15)18-13(11)16/h2-5H,15H2,1H3
InChIKeyMWNDPTJQOFRWSV-UHFFFAOYSA-N
XLogP2.97
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-2-chloroindole-3-carbonitrile
CID 67060642
1-carbazol-9-ylethanone;ethane
CID 142183368
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
CID 658168
(4S)-5-acetyl-2-amino-4-(2-chlorophenyl)-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 7278319
(4R)-5-acetyl-2-amino-4-(2-chlorophenyl)-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 7278320
(4S)-9-acetyl-2-amino-3-cyano-4-(trifluoromethyl)pyrano[2,3-b]indole-4-carboxylic acid
CID 175018807
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
5-acetyl-2-amino-4-(3-chlorophenyl)-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3502693
tert-butyl 1-acetyl-3-aminoindole-2-carboxylate
CID 19360139
[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 68750235

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile?
The IUPAC name of 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile (CID 940372) is 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile.
What is the SMILES notation for 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile?
The canonical SMILES for 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile is CC(=O)n1c2ccccc2c2c(C#N)c(N)sc21.
What is the InChIKey of 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile?
The InChIKey is MWNDPTJQOFRWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c1-7(17)16-10-5-3-2-4-8(10)11-9(6-14)12(15)18-13(11)16/h2-5H,15H2,1H3.
What are the key properties of 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile?
4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-aminothieno[2,3-b]indole-1-carbonitrile is sourced from PubChem (CID 940372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).