N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide

C22H20N4OS — CID 167913926

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCc1sc(NC(=O)Cc2[nH]nc3ccccc23)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20N4OS/c1-13-21(16-10-9-14-5-4-6-15(14)11-16)24-22(28-13)23-20(27)12-19-17-7-2-3-8-18(17)25-26-19/h2-3,7-11H,4-6,12H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyKNRBRZKOKXTGHC-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.66
Rot. Bonds4

About N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 167913926) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide
PubChem CID167913926
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide
SMILESCc1sc(NC(=O)Cc2[nH]nc3ccccc23)nc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20N4OS/c1-13-21(16-10-9-14-5-4-6-15(14)11-16)24-22(28-13)23-20(27)12-19-17-7-2-3-8-18(17)25-26-19/h2-3,7-11H,4-6,12H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyKNRBRZKOKXTGHC-UHFFFAOYSA-N
XLogP4.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 156760470
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 156760484
US11649255, Example 52
CID 163221010
US11649255, Example 9
CID 163220913
US11649255, Example 10
CID 163221440
1-(1,3-Benzothiazol-2-YL)-4-(2,4-dimethylphenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-6-one
CID 135893170
2-(2,5-dimethylphenyl)-N-(1-(4-fluorobenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 29696529
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1H-indazol-6-yl)acetamide
CID 166628761
N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 156760477
N-[4-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 166728482
US20240208998, Example 7
CID 166057985
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 24618153

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide (CID 167913926) is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide is Cc1sc(NC(=O)Cc2[nH]nc3ccccc23)nc1-c1ccc2c(c1)CCC2.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is KNRBRZKOKXTGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-13-21(16-10-9-14-5-4-6-15(14)11-16)24-22(28-13)23-20(27)12-19-17-7-2-3-8-18(17)25-26-19/h2-3,7-11H,4-6,12H2,1H3,(H,25,26)(H,23,24,27).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 388.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 167913926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).