2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C16H20N6O2S — CID 91833763

IUPAC2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1noc(CN(C)Cc2cc(=O)n3nc(C4CC4)sc3n2)n1
InChIInChI=1S/C16H20N6O2S/c1-3-4-12-18-13(24-20-12)9-21(2)8-11-7-14(23)22-16(17-11)25-15(19-22)10-5-6-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyIWGMGGOGFHNVDV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.00
Rot. Bonds7

About 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91833763) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID91833763
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1noc(CN(C)Cc2cc(=O)n3nc(C4CC4)sc3n2)n1
InChIInChI=1S/C16H20N6O2S/c1-3-4-12-18-13(24-20-12)9-21(2)8-11-7-14(23)22-16(17-11)25-15(19-22)10-5-6-10/h7,10H,3-6,8-9H2,1-2H3
InChIKeyIWGMGGOGFHNVDV-UHFFFAOYSA-N
XLogP2.00
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 91833763) is 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1noc(CN(C)Cc2cc(=O)n3nc(C4CC4)sc3n2)n1.
What is the InChIKey of 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IWGMGGOGFHNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-3-4-12-18-13(24-20-12)9-21(2)8-11-7-14(23)22-16(17-11)25-15(19-22)10-5-6-10/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 360.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91833763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).