2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H13FN4OS — CID 133446426

IUPAC2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NC3CCCc4ccc(F)cc43)nn12
InChIInChI=1S/C15H13FN4OS/c16-10-5-4-9-2-1-3-12(11(9)8-10)18-14-19-20-13(21)6-7-17-15(20)22-14/h4-8,12H,1-3H2,(H,18,19)
InChIKeyHSEKXZQKADSDSA-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.78
Rot. Bonds2

About 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133446426) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133446426
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NC3CCCc4ccc(F)cc43)nn12
InChIInChI=1S/C15H13FN4OS/c16-10-5-4-9-2-1-3-12(11(9)8-10)18-14-19-20-13(21)6-7-17-15(20)22-14/h4-8,12H,1-3H2,(H,18,19)
InChIKeyHSEKXZQKADSDSA-UHFFFAOYSA-N
XLogP2.78
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133446426) is 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(NC3CCCc4ccc(F)cc43)nn12.
What is the InChIKey of 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HSEKXZQKADSDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c16-10-5-4-9-2-1-3-12(11(9)8-10)18-14-19-20-13(21)6-7-17-15(20)22-14/h4-8,12H,1-3H2,(H,18,19).
What are the key properties of 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 316.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133446426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).