5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole

C18H24N8S — CID 133328477

IUPAC5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCN(c3cncc(-n4nc(C)cc4C)n3)CC2)n1
InChIInChI=1S/C18H24N8S/c1-4-15-20-18(27-23-15)25-7-5-6-24(8-9-25)16-11-19-12-17(21-16)26-14(3)10-13(2)22-26/h10-12H,4-9H2,1-3H3
InChIKeyIJMWOAFOABUVSO-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.41
Rot. Bonds4

About 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole

5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133328477) has the molecular formula C18H24N8S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID133328477
Molecular FormulaC18H24N8S
Molecular Weight384.51 g/mol
Exact Mass384.18
IUPAC Name5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCN(c3cncc(-n4nc(C)cc4C)n3)CC2)n1
InChIInChI=1S/C18H24N8S/c1-4-15-20-18(27-23-15)25-7-5-6-24(8-9-25)16-11-19-12-17(21-16)26-14(3)10-13(2)22-26/h10-12H,4-9H2,1-3H3
InChIKeyIJMWOAFOABUVSO-UHFFFAOYSA-N
XLogP2.41
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole (CID 133328477) is 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCCN(c3cncc(-n4nc(C)cc4C)n3)CC2)n1.
What is the InChIKey of 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is IJMWOAFOABUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8S/c1-4-15-20-18(27-23-15)25-7-5-6-24(8-9-25)16-11-19-12-17(21-16)26-14(3)10-13(2)22-26/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole?
5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 384.51 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133328477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).