2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole

C11H11N5S — CID 166104895

IUPAC2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole
SMILESc1nnc(-c2cncc(N3CC4CC4C3)n2)s1
InChIInChI=1S/C11H11N5S/c1-7-4-16(5-8(1)7)10-3-12-2-9(14-10)11-15-13-6-17-11/h2-3,6-8H,1,4-5H2
InChIKeyJIWSWZXLFHFYGB-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.45
Rot. Bonds2

About 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole

2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole (PubChem CID 166104895) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole
PubChem CID166104895
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole
SMILESc1nnc(-c2cncc(N3CC4CC4C3)n2)s1
InChIInChI=1S/C11H11N5S/c1-7-4-16(5-8(1)7)10-3-12-2-9(14-10)11-15-13-6-17-11/h2-3,6-8H,1,4-5H2
InChIKeyJIWSWZXLFHFYGB-UHFFFAOYSA-N
XLogP1.45
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole
CID 166104982
2-[6-[(3S)-3-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]pyrazin-2-yl]-1,3,4-thiadiazole
CID 174214063
3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane
CID 118961430
2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole
CID 167754412
6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-amine
CID 78989037
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
CID 145049338
1-(6-bromopyrazin-2-yl)azetidin-3-ol
CID 172992363
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyrazin-2-yl]hydrazine
CID 115563138
[2-[6-(furan-2-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone
CID 90250956
2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole (CID 166104895) is 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole is c1nnc(-c2cncc(N3CC4CC4C3)n2)s1.
What is the InChIKey of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole?
The InChIKey is JIWSWZXLFHFYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-4-16(5-8(1)7)10-3-12-2-9(14-10)11-15-13-6-17-11/h2-3,6-8H,1,4-5H2.
What are the key properties of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole?
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole has a molecular weight of 245.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 166104895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).