7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H22N4O2S — CID 133343995

IUPAC7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(NCC3(C)CCCCC3O)sc2n1
InChIInChI=1S/C15H22N4O2S/c1-3-10-8-12(21)19-14(17-10)22-13(18-19)16-9-15(2)7-5-4-6-11(15)20/h8,11,20H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyXAFXDRFIPGNEJZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.07
Rot. Bonds4

About 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133343995) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133343995
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(NCC3(C)CCCCC3O)sc2n1
InChIInChI=1S/C15H22N4O2S/c1-3-10-8-12(21)19-14(17-10)22-13(18-19)16-9-15(2)7-5-4-6-11(15)20/h8,11,20H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyXAFXDRFIPGNEJZ-UHFFFAOYSA-N
XLogP2.07
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethyl-2-[3-(2-hydroxycyclohexyl)propylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133384961
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133342557
1-[4-[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417730
7-ethyl-2-(1,3-thiazol-4-ylmethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278099
N,N-diethyl-4-[[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 87013225
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133363343
2-(dicyclopropylmethylamino)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133333789
2-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133380359
7-ethyl-2-(2-phenylsulfanylpropylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133324724
7-ethyl-2-[(2-phenyloxan-4-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133474075
2-[2-(cyclohepten-1-yl)ethylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133477046
7-ethyl-2-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 97185423

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133343995) is 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(NCC3(C)CCCCC3O)sc2n1.
What is the InChIKey of 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XAFXDRFIPGNEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-3-10-8-12(21)19-14(17-10)22-13(18-19)16-9-15(2)7-5-4-6-11(15)20/h8,11,20H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 322.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133343995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).