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

C13H15N7S — CID 122507455

IUPACN-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1nnc(N2CCNCC2)s1
InChIInChI=1S/C13H15N7S/c1-2-11-9(8-15-17-11)7-10(1)16-12-18-19-13(21-12)20-5-3-14-4-6-20/h1-2,7-8,14H,3-6H2,(H,15,17)(H,16,18)
InChIKeyTXAKTAYNBPAYAB-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.57
Rot. Bonds3

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

N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine (PubChem CID 122507455) 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-1-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine
PubChem CID122507455
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2[nH]ncc2cc1Nc1nnc(N2CCNCC2)s1
InChIInChI=1S/C13H15N7S/c1-2-11-9(8-15-17-11)7-10(1)16-12-18-19-13(21-12)20-5-3-14-4-6-20/h1-2,7-8,14H,3-6H2,(H,15,17)(H,16,18)
InChIKeyTXAKTAYNBPAYAB-UHFFFAOYSA-N
XLogP1.57
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine (CID 122507455) is N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine is c1cc2[nH]ncc2cc1Nc1nnc(N2CCNCC2)s1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is TXAKTAYNBPAYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-11-9(8-15-17-11)7-10(1)16-12-18-19-13(21-12)20-5-3-14-4-6-20/h1-2,7-8,14H,3-6H2,(H,15,17)(H,16,18).
What are the key properties of N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-piperazin-1-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).