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

C16H15N7O2S — CID 133374654

IUPAC2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)C(Nc1nn2c(=O)ccnc2s1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H15N7O2S/c1-9(2)12(14-20-13(22-25-14)10-3-6-17-7-4-10)19-15-21-23-11(24)5-8-18-16(23)26-15/h3-9,12H,1-2H3,(H,19,21)
InChIKeyPIDXLGFRCHQVKX-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.41
Rot. Bonds5

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

2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133374654) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133374654
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)C(Nc1nn2c(=O)ccnc2s1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H15N7O2S/c1-9(2)12(14-20-13(22-25-14)10-3-6-17-7-4-10)19-15-21-23-11(24)5-8-18-16(23)26-15/h3-9,12H,1-2H3,(H,19,21)
InChIKeyPIDXLGFRCHQVKX-UHFFFAOYSA-N
XLogP2.41
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133374686
3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
CID 119871681
6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
CID 133472609
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
CID 51133659
2-(5,5-dimethylhexan-2-ylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133311802
1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 51134100
6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133374685
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]morpholine-2-carboxamide
CID 119871684
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52516107

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133374654) is 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC(C)C(Nc1nn2c(=O)ccnc2s1)c1nc(-c2ccncc2)no1.
What is the InChIKey of 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PIDXLGFRCHQVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c1-9(2)12(14-20-13(22-25-14)10-3-6-17-7-4-10)19-15-21-23-11(24)5-8-18-16(23)26-15/h3-9,12H,1-2H3,(H,19,21).
What are the key properties of 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 369.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133374654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).