3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide

C24H19N3O2S — CID 7948398

IUPAC3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C24H19N3O2S/c28-23(13-10-16-15-25-20-9-5-4-8-19(16)20)27-24-26-21-12-11-18(14-22(21)30-24)29-17-6-2-1-3-7-17/h1-9,11-12,14-15,25H,10,13H2,(H,26,27,28)
InChIKeyLFBFVISEVKAUEK-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.14
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide

3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 7948398) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID7948398
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C24H19N3O2S/c28-23(13-10-16-15-25-20-9-5-4-8-19(16)20)27-24-26-21-12-11-18(14-22(21)30-24)29-17-6-2-1-3-7-17/h1-9,11-12,14-15,25H,10,13H2,(H,26,27,28)
InChIKeyLFBFVISEVKAUEK-UHFFFAOYSA-N
XLogP6.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 30371053
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(1H-indol-3-yl)butanamide
CID 20968977
4-[[(2S)-2-amino-3-(1H-indol-3-yl)propyl]amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 122625128
2-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide
CID 7872514
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217
3-(1H-indol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 17472906
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
3-(oxolan-2-ylmethoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 55719245
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide (CID 7948398) is 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccc(Oc3ccccc3)cc2s1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is LFBFVISEVKAUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-23(13-10-16-15-25-20-9-5-4-8-19(16)20)27-24-26-21-12-11-18(14-22(21)30-24)29-17-6-2-1-3-7-17/h1-9,11-12,14-15,25H,10,13H2,(H,26,27,28).
What are the key properties of 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide?
3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 413.50 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 7948398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).