4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide

C15H14F2N6OS — CID 139344037

IUPAC4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C15H14F2N6OS/c16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-25(24)6-4-22/h1-2,7-9,14H,3-6H2
InChIKeyTUKONTASRPVIRB-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.69
Rot. Bonds3

About 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide

4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide (PubChem CID 139344037) has the molecular formula C15H14F2N6OS and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide
PubChem CID139344037
Molecular FormulaC15H14F2N6OS
Molecular Weight364.38 g/mol
Exact Mass364.09
IUPAC Name4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C15H14F2N6OS/c16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-25(24)6-4-22/h1-2,7-9,14H,3-6H2
InChIKeyTUKONTASRPVIRB-UHFFFAOYSA-N
XLogP1.69
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide (CID 139344037) is 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide is O=S1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.
What is the InChIKey of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
The InChIKey is TUKONTASRPVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6OS/c16-14(17)10-9-23-11(7-20-13(23)8-19-10)15-18-2-1-12(21-15)22-3-5-25(24)6-4-22/h1-2,7-9,14H,3-6H2.
What are the key properties of 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide?
4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide has a molecular weight of 364.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 139344037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).