N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine

C13H15N7S — CID 122507454

IUPACN-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1nnc(C2CNCCN2)s1
InChIInChI=1S/C13H15N7S/c1-2-10-8(6-16-18-10)5-9(1)17-13-20-19-12(21-13)11-7-14-3-4-15-11/h1-2,5-6,11,14-15H,3-4,7H2,(H,16,18)(H,17,20)
InChIKeyAEPBWXBZYDWNCK-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.39
Rot. Bonds3

About N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine

N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 122507454) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID122507454
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1nnc(C2CNCCN2)s1
InChIInChI=1S/C13H15N7S/c1-2-10-8(6-16-18-10)5-9(1)17-13-20-19-12(21-13)11-7-14-3-4-15-11/h1-2,5-6,11,14-15H,3-4,7H2,(H,16,18)(H,17,20)
InChIKeyAEPBWXBZYDWNCK-UHFFFAOYSA-N
XLogP1.39
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine (CID 122507454) is N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine is c1cc2[nH]ncc2cc1Nc1nnc(C2CNCCN2)s1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is AEPBWXBZYDWNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-10-8(6-16-18-10)5-9(1)17-13-20-19-12(21-13)11-7-14-3-4-15-11/h1-2,5-6,11,14-15H,3-4,7H2,(H,16,18)(H,17,20).
What are the key properties of N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-piperazin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).