5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole

C12H12N4OS — CID 133428917

IUPAC5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C12H12N4OS/c1-7(2)11-14-12(18-16-11)17-9-4-3-8-6-13-15-10(8)5-9/h3-7H,1-2H3,(H,13,15)
InChIKeyWLCUXWSLAFPYAX-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.33
Rot. Bonds3

About 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole

5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133428917) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133428917
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(Oc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C12H12N4OS/c1-7(2)11-14-12(18-16-11)17-9-4-3-8-6-13-15-10(8)5-9/h3-7H,1-2H3,(H,13,15)
InChIKeyWLCUXWSLAFPYAX-UHFFFAOYSA-N
XLogP3.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;6-methoxy-1H-indazole
CID 144719676
6-pyridin-4-yloxy-1H-indazole
CID 163366641
5-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-propan-2-yl-1,2,4-thiadiazole
CID 102714057
6-pyridin-3-yloxy-1H-indazole
CID 118649525
6-(6-ethylpyrimidin-4-yl)oxy-1H-indazole
CID 155949116
ethene;6-methyl-1H-indazole
CID 123213038
5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole
CID 65272573
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
5-ethyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273904
6-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682883
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 133428917) is 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(Oc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is WLCUXWSLAFPYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7(2)11-14-12(18-16-11)17-9-4-3-8-6-13-15-10(8)5-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 260.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yloxy)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133428917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).