N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C21H21N5O2S — CID 90570922

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)cs2)n1
InChIInChI=1S/C21H21N5O2S/c1-12-10-13(2)26(25-12)21-24-15(11-29-21)8-9-22-20(28)19(27)18-14(3)23-17-7-5-4-6-16(17)18/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,28)
InChIKeyBDKVODQFISRSOR-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 90570922) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID90570922
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)cs2)n1
InChIInChI=1S/C21H21N5O2S/c1-12-10-13(2)26(25-12)21-24-15(11-29-21)8-9-22-20(28)19(27)18-14(3)23-17-7-5-4-6-16(17)18/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,28)
InChIKeyBDKVODQFISRSOR-UHFFFAOYSA-N
XLogP3.28
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide 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-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572172
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 90570879
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 90570810
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
CID 71802075
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-4-phenylbenzamide
CID 90570882
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90570891
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90570945
1-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 71802122
4-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 90570959
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 90570922) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1cc(C)n(-c2nc(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is BDKVODQFISRSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-12-10-13(2)26(25-12)21-24-15(11-29-21)8-9-22-20(28)19(27)18-14(3)23-17-7-5-4-6-16(17)18/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,28).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 407.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 90570922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).