2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide

C24H27N5OS — CID 59252804

IUPAC2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)Cn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21
InChIInChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30)
InChIKeyYYYPJKKPSYEOMG-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.34
Rot. Bonds7

About 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide

2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 59252804) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID59252804
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)Cn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21
InChIInChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30)
InChIKeyYYYPJKKPSYEOMG-UHFFFAOYSA-N
XLogP5.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
CID 126740623
(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 72188916
(3S)-2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 72192290
(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 72736045
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936727
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936729
3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 24936732
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide
CID 24936982
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,4-trimethyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 24936984
2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24937240
3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24937242

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 59252804) is 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)Cn1ncc2cc(C(c3ccccc3)C(C)(C)C(=O)Nc3nncs3)ccc21.
What is the InChIKey of 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is YYYPJKKPSYEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-16(2)14-29-20-11-10-18(12-19(20)13-26-29)21(17-8-6-5-7-9-17)24(3,4)22(30)27-23-28-25-15-31-23/h5-13,15-16,21H,14H2,1-4H3,(H,27,28,30).
What are the key properties of 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 433.58 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 59252804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).