2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H24N4O2S — CID 133353759

IUPAC2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(NC3CC(OCC)C34CCC4)sc2n1
InChIInChI=1S/C17H24N4O2S/c1-3-6-11-9-14(22)21-16(18-11)24-15(20-21)19-12-10-13(23-4-2)17(12)7-5-8-17/h9,12-13H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyCBZOKFQYOYXQPW-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.86
Rot. Bonds6

About 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133353759) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133353759
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(NC3CC(OCC)C34CCC4)sc2n1
InChIInChI=1S/C17H24N4O2S/c1-3-6-11-9-14(22)21-16(18-11)24-15(20-21)19-12-10-13(23-4-2)17(12)7-5-8-17/h9,12-13H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyCBZOKFQYOYXQPW-UHFFFAOYSA-N
XLogP2.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-methylpiperidin-4-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133383352
2-(dicyclopropylmethylamino)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133333789
2-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133387008
2-[2-(cyclopropylmethoxy)ethylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86900434
2-[2-(cyclohepten-1-yl)ethylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133477046
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-1-methylpyridin-2-one
CID 64864827
(2S,3S)-3-methyl-2-[(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]pentanoic acid
CID 120964625
N-(3-ethoxyspiro[3.3]heptan-1-yl)thiadiazol-5-amine
CID 107649614
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133338426
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
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 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133353759) is 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(NC3CC(OCC)C34CCC4)sc2n1.
What is the InChIKey of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CBZOKFQYOYXQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-6-11-9-14(22)21-16(18-11)24-15(20-21)19-12-10-13(23-4-2)17(12)7-5-8-17/h9,12-13H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 348.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133353759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).