7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H18N4OS2 — CID 133356707

IUPAC7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N(C)C(C)Cc3ccsc3)sc2n1
InChIInChI=1S/C15H18N4OS2/c1-4-12-8-13(20)19-14(16-12)22-15(17-19)18(3)10(2)7-11-5-6-21-9-11/h5-6,8-10H,4,7H2,1-3H3
InChIKeyHDVMWQYBPSJYNG-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.84
Rot. Bonds5

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

7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133356707) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133356707
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N(C)C(C)Cc3ccsc3)sc2n1
InChIInChI=1S/C15H18N4OS2/c1-4-12-8-13(20)19-14(16-12)22-15(17-19)18(3)10(2)7-11-5-6-21-9-11/h5-6,8-10H,4,7H2,1-3H3
InChIKeyHDVMWQYBPSJYNG-UHFFFAOYSA-N
XLogP2.84
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133356707) is 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N(C)C(C)Cc3ccsc3)sc2n1.
What is the InChIKey of 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HDVMWQYBPSJYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-4-12-8-13(20)19-14(16-12)22-15(17-19)18(3)10(2)7-11-5-6-21-9-11/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 334.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133356707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).