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

C18H12N8S — CID 24962535

IUPACN-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESc1cc(Nc2nncs2)cc(-c2cnn3cc(-c4cnccn4)cnc23)c1
InChIInChI=1S/C18H12N8S/c1-2-12(6-14(3-1)24-18-25-22-11-27-18)15-8-23-26-10-13(7-21-17(15)26)16-9-19-4-5-20-16/h1-11H,(H,24,25)
InChIKeyVWQIFHWVOZLTKO-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.45
Rot. Bonds4

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

N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24962535) has the molecular formula C18H12N8S and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID24962535
Molecular FormulaC18H12N8S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC NameN-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESc1cc(Nc2nncs2)cc(-c2cnn3cc(-c4cnccn4)cnc23)c1
InChIInChI=1S/C18H12N8S/c1-2-12(6-14(3-1)24-18-25-22-11-27-18)15-8-23-26-10-13(7-21-17(15)26)16-9-19-4-5-20-16/h1-11H,(H,24,25)
InChIKeyVWQIFHWVOZLTKO-UHFFFAOYSA-N
XLogP3.45
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
6-(4-fluorophenyl)-3-iodopyrazolo[1,5-a]pyrimidine;N-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine
CID 158000224
5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 118431169
N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 10133022
N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 59603821
1-(2-aminoethyl)-3-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]urea
CID 59320954
N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
CID 90713193
2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine
CID 171446026
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987
4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 59604033
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine (CID 24962535) is N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine is c1cc(Nc2nncs2)cc(-c2cnn3cc(-c4cnccn4)cnc23)c1.
What is the InChIKey of N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VWQIFHWVOZLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N8S/c1-2-12(6-14(3-1)24-18-25-22-11-27-18)15-8-23-26-10-13(7-21-17(15)26)16-9-19-4-5-20-16/h1-11H,(H,24,25).
What are the key properties of N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine?
N-[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 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24962535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).