2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

C21H19N3OS — CID 113203321

IUPAC2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESO=C(C1CCc2nc(-c3cccnc3)sc2C1)N1CCc2ccccc21
InChIInChI=1S/C21H19N3OS/c25-21(24-11-9-14-4-1-2-6-18(14)24)15-7-8-17-19(12-15)26-20(23-17)16-5-3-10-22-13-16/h1-6,10,13,15H,7-9,11-12H2
InChIKeySGBJNFRDUJJJSD-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.90
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (PubChem CID 113203321) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
PubChem CID113203321
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESO=C(C1CCc2nc(-c3cccnc3)sc2C1)N1CCc2ccccc21
InChIInChI=1S/C21H19N3OS/c25-21(24-11-9-14-4-1-2-6-18(14)24)15-7-8-17-19(12-15)26-20(23-17)16-5-3-10-22-13-16/h1-6,10,13,15H,7-9,11-12H2
InChIKeySGBJNFRDUJJJSD-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (CID 113203321) is 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is O=C(C1CCc2nc(-c3cccnc3)sc2C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The InChIKey is SGBJNFRDUJJJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c25-21(24-11-9-14-4-1-2-6-18(14)24)15-7-8-17-19(12-15)26-20(23-17)16-5-3-10-22-13-16/h1-6,10,13,15H,7-9,11-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone has a molecular weight of 361.47 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 113203321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).