2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole

C16H11ClN2S — CID 86076766

IUPAC2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole
SMILESClc1ccccc1C1=NCc2c([nH]c3ccccc23)S1
InChIInChI=1S/C16H11ClN2S/c17-13-7-3-1-6-11(13)15-18-9-12-10-5-2-4-8-14(10)19-16(12)20-15/h1-8,19H,9H2
InChIKeyRHDAYHURUVHDIH-UHFFFAOYSA-N
MW298.80 g/mol
LogP4.87
Rot. Bonds1

About 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole

2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole (PubChem CID 86076766) has the molecular formula C16H11ClN2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole
PubChem CID86076766
Molecular FormulaC16H11ClN2S
Molecular Weight298.80 g/mol
Exact Mass298.03
IUPAC Name2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole
SMILESClc1ccccc1C1=NCc2c([nH]c3ccccc23)S1
InChIInChI=1S/C16H11ClN2S/c17-13-7-3-1-6-11(13)15-18-9-12-10-5-2-4-8-14(10)19-16(12)20-15/h1-8,19H,9H2
InChIKeyRHDAYHURUVHDIH-UHFFFAOYSA-N
XLogP4.87
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(2-chlorophenyl)-1H-indole
CID 132600701
2-(2-chlorophenyl)-1H-indole-3-thiol
CID 70090682
1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11242982
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
4-chloro-9,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2,4,6,8,14,16,18-octaene
CID 136693641
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
6-amino-2-(2-chlorophenyl)-1,4-dihydropyrimidine-5-carbonitrile
CID 142635065
4-bromo-2-(2-chlorophenyl)-1H-indole
CID 59689098
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
9H-carbazole
CID 66668984
4-chloro-3H-isoindol-1-amine
CID 174366433

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
The IUPAC name of 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole (CID 86076766) is 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole.
What is the SMILES notation for 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
The canonical SMILES for 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole is Clc1ccccc1C1=NCc2c([nH]c3ccccc23)S1.
What is the InChIKey of 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
The InChIKey is RHDAYHURUVHDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2S/c17-13-7-3-1-6-11(13)15-18-9-12-10-5-2-4-8-14(10)19-16(12)20-15/h1-8,19H,9H2.
What are the key properties of 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole?
2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole has a molecular weight of 298.80 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indole is sourced from PubChem (CID 86076766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).