5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H15N7OS — CID 25298398

IUPAC5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1NCc1scnc1-c1ccccc1
InChIInChI=1S/C16H15N7OS/c1-23(2)16-15(19-13-14(20-16)22-24-21-13)17-8-11-12(18-9-25-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,19,21)
InChIKeySCKDIIJHALIMQY-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.81
Rot. Bonds5

About 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25298398) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25298398
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1NCc1scnc1-c1ccccc1
InChIInChI=1S/C16H15N7OS/c1-23(2)16-15(19-13-14(20-16)22-24-21-13)17-8-11-12(18-9-25-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,19,21)
InChIKeySCKDIIJHALIMQY-UHFFFAOYSA-N
XLogP2.81
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25298398) is 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(C)c1nc2nonc2nc1NCc1scnc1-c1ccccc1.
What is the InChIKey of 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is SCKDIIJHALIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-23(2)16-15(19-13-14(20-16)22-24-21-13)17-8-11-12(18-9-25-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,19,21).
What are the key properties of 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 353.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25298398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).