2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide

C22H22N4O2S — CID 170317966

IUPAC2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2[nH]cc(CC(=O)Nc3nc4ccc(N5CCOCC5)cc4s3)c2c1
InChIInChI=1S/C22H22N4O2S/c1-14-2-4-18-17(10-14)15(13-23-18)11-21(27)25-22-24-19-5-3-16(12-20(19)29-22)26-6-8-28-9-7-26/h2-5,10,12-13,23H,6-9,11H2,1H3,(H,24,25,27)
InChIKeyLMZWNQVOZQQDFX-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.10
Rot. Bonds4

About 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide

2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 170317966) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID170317966
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2[nH]cc(CC(=O)Nc3nc4ccc(N5CCOCC5)cc4s3)c2c1
InChIInChI=1S/C22H22N4O2S/c1-14-2-4-18-17(10-14)15(13-23-18)11-21(27)25-22-24-19-5-3-16(12-20(19)29-22)26-6-8-28-9-7-26/h2-5,10,12-13,23H,6-9,11H2,1H3,(H,24,25,27)
InChIKeyLMZWNQVOZQQDFX-UHFFFAOYSA-N
XLogP4.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide
CID 59725477
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 5213183
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686960
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide (CID 170317966) is 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2[nH]cc(CC(=O)Nc3nc4ccc(N5CCOCC5)cc4s3)c2c1.
What is the InChIKey of 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LMZWNQVOZQQDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-2-4-18-17(10-14)15(13-23-18)11-21(27)25-22-24-19-5-3-16(12-20(19)29-22)26-6-8-28-9-7-26/h2-5,10,12-13,23H,6-9,11H2,1H3,(H,24,25,27).
What are the key properties of 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide?
2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-3-yl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 170317966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).