5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

C18H17N7S — CID 90256983

IUPAC5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCC5)n4)c3c2)s1
InChIInChI=1S/C18H17N7S/c19-18-24-23-17(26-18)11-3-4-14-12(7-11)13(8-21-14)15-9-20-10-16(22-15)25-5-1-2-6-25/h3-4,7-10,21H,1-2,5-6H2,(H2,19,24)
InChIKeyXOVBYWVIFNEHJK-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.33
Rot. Bonds3

About 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90256983) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90256983
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCC5)n4)c3c2)s1
InChIInChI=1S/C18H17N7S/c19-18-24-23-17(26-18)11-3-4-14-12(7-11)13(8-21-14)15-9-20-10-16(22-15)25-5-1-2-6-25/h3-4,7-10,21H,1-2,5-6H2,(H2,19,24)
InChIKeyXOVBYWVIFNEHJK-UHFFFAOYSA-N
XLogP3.33
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (CID 90256983) is 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCC5)n4)c3c2)s1.
What is the InChIKey of 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XOVBYWVIFNEHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c19-18-24-23-17(26-18)11-3-4-14-12(7-11)13(8-21-14)15-9-20-10-16(22-15)25-5-1-2-6-25/h3-4,7-10,21H,1-2,5-6H2,(H2,19,24).
What are the key properties of 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 363.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-pyrrolidin-1-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90256983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).