7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H16N4O3S — CID 133490844

IUPAC7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(NC(CCO)c3ccco3)sc2n1
InChIInChI=1S/C14H16N4O3S/c1-2-9-8-12(20)18-14(15-9)22-13(17-18)16-10(5-6-19)11-4-3-7-21-11/h3-4,7-8,10,19H,2,5-6H2,1H3,(H,16,17)
InChIKeyPAZSZFMLWAULAX-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.84
Rot. Bonds6

About 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133490844) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133490844
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(NC(CCO)c3ccco3)sc2n1
InChIInChI=1S/C14H16N4O3S/c1-2-9-8-12(20)18-14(15-9)22-13(17-18)16-10(5-6-19)11-4-3-7-21-11/h3-4,7-8,10,19H,2,5-6H2,1H3,(H,16,17)
InChIKeyPAZSZFMLWAULAX-UHFFFAOYSA-N
XLogP1.84
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133490778
3-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-3-(furan-2-yl)propan-1-ol
CID 133493768
2-[bis(3-methoxyphenyl)methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356947
7-ethyl-2-[[(1S)-3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 95785068
2-[4-(furan-2-yl)butan-2-ylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47018684
4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267408
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(furan-2-yl)propan-1-ol
CID 133490705
7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133277307
3-(furan-2-yl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133493815
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
2-(5,5-dimethylhexan-2-ylamino)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133311775

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133490844) is 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(NC(CCO)c3ccco3)sc2n1.
What is the InChIKey of 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PAZSZFMLWAULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-2-9-8-12(20)18-14(15-9)22-13(17-18)16-10(5-6-19)11-4-3-7-21-11/h3-4,7-8,10,19H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 320.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133490844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).