N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine

C18H13N7S — CID 122507502

IUPACN-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESc1cc(-c2cn[nH]c2)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C18H13N7S/c1-2-11(14-9-19-20-10-14)6-12(3-1)17-24-25-18(26-17)22-15-4-5-16-13(7-15)8-21-23-16/h1-10H,(H,19,20)(H,21,23)(H,22,25)
InChIKeyOFYFXROYXHJSAO-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.22
Rot. Bonds4

About N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine

N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 122507502) has the molecular formula C18H13N7S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID122507502
Molecular FormulaC18H13N7S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC NameN-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESc1cc(-c2cn[nH]c2)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C18H13N7S/c1-2-11(14-9-19-20-10-14)6-12(3-1)17-24-25-18(26-17)22-15-4-5-16-13(7-15)8-21-23-16/h1-10H,(H,19,20)(H,21,23)(H,22,25)
InChIKeyOFYFXROYXHJSAO-UHFFFAOYSA-N
XLogP4.22
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine (CID 122507502) is N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine is c1cc(-c2cn[nH]c2)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OFYFXROYXHJSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7S/c1-2-11(14-9-19-20-10-14)6-12(3-1)17-24-25-18(26-17)22-15-4-5-16-13(7-15)8-21-23-16/h1-10H,(H,19,20)(H,21,23)(H,22,25).
What are the key properties of N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 359.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-[3-(1H-pyrazol-4-yl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).