5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine

C18H12N8S — CID 118431169

IUPAC5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(-c3cnn4cc(-c5cnccn5)cnc34)c2)s1
InChIInChI=1S/C18H12N8S/c19-18-25-24-17(27-18)12-3-1-2-11(6-12)14-8-23-26-10-13(7-22-16(14)26)15-9-20-4-5-21-15/h1-10H,(H2,19,25)
InChIKeyPOGHURVUAHDCMZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.95
Rot. Bonds3

About 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine

5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 118431169) has the molecular formula C18H12N8S and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID118431169
Molecular FormulaC18H12N8S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(-c3cnn4cc(-c5cnccn5)cnc34)c2)s1
InChIInChI=1S/C18H12N8S/c19-18-25-24-17(27-18)12-3-1-2-11(6-12)14-8-23-26-10-13(7-22-16(14)26)15-9-20-4-5-21-15/h1-10H,(H2,19,25)
InChIKeyPOGHURVUAHDCMZ-UHFFFAOYSA-N
XLogP2.95
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 24962535
N-[3-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 59277818
N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 68703632
5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4616762
4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 157036389
1-[3-[6-[4-(1-aminoethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol;methane;1-[3-[6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 158866611
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine
CID 1478940
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987
5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 23463043
N-(1-cyclopropylethyl)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59603870
4-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-2-amine
CID 126667109

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine (CID 118431169) is 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc(-c3cnn4cc(-c5cnccn5)cnc34)c2)s1.
What is the InChIKey of 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is POGHURVUAHDCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N8S/c19-18-25-24-17(27-18)12-3-1-2-11(6-12)14-8-23-26-10-13(7-22-16(14)26)15-9-20-4-5-21-15/h1-10H,(H2,19,25).
What are the key properties of 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 372.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118431169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).