2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C22H20ClN3O2S — CID 127255155

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccccc4Cl)n3)c2c1
InChIInChI=1S/C22H20ClN3O2S/c1-28-16-6-7-20-18(11-16)14(12-25-20)8-9-24-21(27)10-15-13-29-22(26-15)17-4-2-3-5-19(17)23/h2-7,11-13,25H,8-10H2,1H3,(H,24,27)
InChIKeyOMMQDLBUCIORRM-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.85
Rot. Bonds7

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 127255155) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID127255155
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccccc4Cl)n3)c2c1
InChIInChI=1S/C22H20ClN3O2S/c1-28-16-6-7-20-18(11-16)14(12-25-20)8-9-24-21(27)10-15-13-29-22(26-15)17-4-2-3-5-19(17)23/h2-7,11-13,25H,8-10H2,1H3,(H,24,27)
InChIKeyOMMQDLBUCIORRM-UHFFFAOYSA-N
XLogP4.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]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

ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 30859184
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34679200
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 50768064
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 3750569
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 127255155) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccccc4Cl)n3)c2c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is OMMQDLBUCIORRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-28-16-6-7-20-18(11-16)14(12-25-20)8-9-24-21(27)10-15-13-29-22(26-15)17-4-2-3-5-19(17)23/h2-7,11-13,25H,8-10H2,1H3,(H,24,27).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 425.94 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 127255155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).