2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C13H21N5OS — CID 47053054

IUPAC2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)N(CCNc1nn2c(=O)ccnc2s1)C(C)C
InChIInChI=1S/C13H21N5OS/c1-9(2)17(10(3)4)8-7-14-12-16-18-11(19)5-6-15-13(18)20-12/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)
InChIKeySDSNTWULFRXHNI-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.68
Rot. Bonds6

About 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47053054) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID47053054
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)N(CCNc1nn2c(=O)ccnc2s1)C(C)C
InChIInChI=1S/C13H21N5OS/c1-9(2)17(10(3)4)8-7-14-12-16-18-11(19)5-6-15-13(18)20-12/h5-6,9-10H,7-8H2,1-4H3,(H,14,16)
InChIKeySDSNTWULFRXHNI-UHFFFAOYSA-N
XLogP1.68
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 47053054) is 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC(C)N(CCNc1nn2c(=O)ccnc2s1)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SDSNTWULFRXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-9(2)17(10(3)4)8-7-14-12-16-18-11(19)5-6-15-13(18)20-12/h5-6,9-10H,7-8H2,1-4H3,(H,14,16).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 295.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47053054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).