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

C22H23N5O2S — CID 59252776

IUPAC3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2CCO)c1
InChIInChI=1S/C22H23N5O2S/c1-22(2,20(29)25-21-26-23-14-30-21)19(15-6-4-3-5-7-15)16-8-9-18-17(12-16)13-24-27(18)10-11-28/h3-9,12-14,19,28H,10-11H2,1-2H3,(H,25,26,29)
InChIKeyYSHQSLYXKDEJNB-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.68
Rot. Bonds7

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

3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 59252776) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID59252776
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2CCO)c1
InChIInChI=1S/C22H23N5O2S/c1-22(2,20(29)25-21-26-23-14-30-21)19(15-6-4-3-5-7-15)16-8-9-18-17(12-16)13-24-27(18)10-11-28/h3-9,12-14,19,28H,10-11H2,1-2H3,(H,25,26,29)
InChIKeyYSHQSLYXKDEJNB-UHFFFAOYSA-N
XLogP3.68
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 59252776) is 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2CCO)c1.
What is the InChIKey of 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is YSHQSLYXKDEJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-22(2,20(29)25-21-26-23-14-30-21)19(15-6-4-3-5-7-15)16-8-9-18-17(12-16)13-24-27(18)10-11-28/h3-9,12-14,19,28H,10-11H2,1-2H3,(H,25,26,29).
What are the key properties of 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 421.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyethyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 59252776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).