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

C12H12N4S — CID 167754412

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole
SMILESc1cnc(-c2csc(N3CC4CC4C3)n2)cn1
InChIInChI=1S/C12H12N4S/c1-2-14-10(4-13-1)11-7-17-12(15-11)16-5-8-3-9(8)6-16/h1-2,4,7-9H,3,5-6H2
InChIKeyBWPVHRCJGBTPBP-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.06
Rot. Bonds2

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

2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole (PubChem CID 167754412) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole
PubChem CID167754412
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole
SMILESc1cnc(-c2csc(N3CC4CC4C3)n2)cn1
InChIInChI=1S/C12H12N4S/c1-2-14-10(4-13-1)11-7-17-12(15-11)16-5-8-3-9(8)6-16/h1-2,4,7-9H,3,5-6H2
InChIKeyBWPVHRCJGBTPBP-UHFFFAOYSA-N
XLogP2.06
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole (CID 167754412) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole is c1cnc(-c2csc(N3CC4CC4C3)n2)cn1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole?
The InChIKey is BWPVHRCJGBTPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-14-10(4-13-1)11-7-17-12(15-11)16-5-8-3-9(8)6-16/h1-2,4,7-9H,3,5-6H2.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole?
2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole has a molecular weight of 244.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 167754412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).