1-(9H-thiazino[6,5-b]indol-2-yl)ethanone

C12H10N2OS — CID 14379602

IUPAC1-(9H-thiazino[6,5-b]indol-2-yl)ethanone
SMILESCC(=O)N1C=Cc2c([nH]c3ccccc23)S1
InChIInChI=1S/C12H10N2OS/c1-8(15)14-7-6-10-9-4-2-3-5-11(9)13-12(10)16-14/h2-7,13H,1H3
InChIKeyRMQBAWTUWXJVOI-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.01
Rot. Bonds

About 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone

1-(9H-thiazino[6,5-b]indol-2-yl)ethanone (PubChem CID 14379602) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(9H-thiazino[6,5-b]indol-2-yl)ethanone
PubChem CID14379602
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name1-(9H-thiazino[6,5-b]indol-2-yl)ethanone
SMILESCC(=O)N1C=Cc2c([nH]c3ccccc23)S1
InChIInChI=1S/C12H10N2OS/c1-8(15)14-7-6-10-9-4-2-3-5-11(9)13-12(10)16-14/h2-7,13H,1H3
InChIKeyRMQBAWTUWXJVOI-UHFFFAOYSA-N
XLogP3.01
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2-oxopropyl)-1,9-dihydropyrido[3,4-b]indole-2-carboxylate
CID 101170049
9H-carbazole;carbonic acid
CID 67577328
1-[2-(2-fluorophenyl)-1H-indol-3-yl]ethanone
CID 13381171
acetic acid;1H-quinazoline-2,4-dione
CID 67165558
11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(15),2,4(12),5,7,9,13,16,18,20-decaene-2,13-dicarboxylic acid
CID 73198810
9H-carbazole;propanoic acid
CID 68841226
3-(2,2-dimethylpropanoyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4771184
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
2-[(20R)-20-hydroxy-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,11,14,16,18-octaen-20-yl]acetic acid
CID 163174433
N-(2-hydroxy-1H-indol-3-yl)acetamide
CID 3244306
2-acetyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 3962553

Frequently Asked Questions

What is the IUPAC name of 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone?
The IUPAC name of 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone (CID 14379602) is 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone.
What is the SMILES notation for 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone?
The canonical SMILES for 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone is CC(=O)N1C=Cc2c([nH]c3ccccc23)S1.
What is the InChIKey of 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone?
The InChIKey is RMQBAWTUWXJVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-8(15)14-7-6-10-9-4-2-3-5-11(9)13-12(10)16-14/h2-7,13H,1H3.
What are the key properties of 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone?
1-(9H-thiazino[6,5-b]indol-2-yl)ethanone has a molecular weight of 230.29 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-thiazino[6,5-b]indol-2-yl)ethanone is sourced from PubChem (CID 14379602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).