5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole

C18H15F2N5OS — CID 123409624

IUPAC5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole
SMILESFC(F)Oc1ccc(CCCc2nc3c(-c4cncs4)nccn3n2)cc1
InChIInChI=1S/C18H15F2N5OS/c19-18(20)26-13-6-4-12(5-7-13)2-1-3-15-23-17-16(14-10-21-11-27-14)22-8-9-25(17)24-15/h4-11,18H,1-3H2
InChIKeyCGEIUUCBSSICOT-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.02
Rot. Bonds7

About 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole

5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole (PubChem CID 123409624) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole
PubChem CID123409624
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole
SMILESFC(F)Oc1ccc(CCCc2nc3c(-c4cncs4)nccn3n2)cc1
InChIInChI=1S/C18H15F2N5OS/c19-18(20)26-13-6-4-12(5-7-13)2-1-3-15-23-17-16(14-10-21-11-27-14)22-8-9-25(17)24-15/h4-11,18H,1-3H2
InChIKeyCGEIUUCBSSICOT-UHFFFAOYSA-N
XLogP4.02
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole (CID 123409624) is 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole is FC(F)Oc1ccc(CCCc2nc3c(-c4cncs4)nccn3n2)cc1.
What is the InChIKey of 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole?
The InChIKey is CGEIUUCBSSICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c19-18(20)26-13-6-4-12(5-7-13)2-1-3-15-23-17-16(14-10-21-11-27-14)22-8-9-25(17)24-15/h4-11,18H,1-3H2.
What are the key properties of 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole?
5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole has a molecular weight of 387.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[4-(difluoromethoxy)phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1,3-thiazole is sourced from PubChem (CID 123409624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).