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

C18H19N5O2S — CID 70745046

IUPAC2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nn2c(=O)cc(CNC3CC(=O)N(c4ccccc4)C3)nc2s1
InChIInChI=1S/C18H19N5O2S/c1-2-15-21-23-17(25)8-12(20-18(23)26-15)10-19-13-9-16(24)22(11-13)14-6-4-3-5-7-14/h3-8,13,19H,2,9-11H2,1H3
InChIKeyFTQUFVXMTPXXSC-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.61
Rot. Bonds5

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

2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70745046) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID70745046
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nn2c(=O)cc(CNC3CC(=O)N(c4ccccc4)C3)nc2s1
InChIInChI=1S/C18H19N5O2S/c1-2-15-21-23-17(25)8-12(20-18(23)26-15)10-19-13-9-16(24)22(11-13)14-6-4-3-5-7-14/h3-8,13,19H,2,9-11H2,1H3
InChIKeyFTQUFVXMTPXXSC-UHFFFAOYSA-N
XLogP1.61
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 92846194
4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 119111639
(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 164635792
(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 94824770
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-2-methylpropanoic acid
CID 81230773
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pyrrol-1-ylbenzoate
CID 7632649
7-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803719
(4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one
CID 99846965
4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 56882134
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 1H-indole-2-carboxylate
CID 7631664

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 70745046) is 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1nn2c(=O)cc(CNC3CC(=O)N(c4ccccc4)C3)nc2s1.
What is the InChIKey of 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FTQUFVXMTPXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-2-15-21-23-17(25)8-12(20-18(23)26-15)10-19-13-9-16(24)22(11-13)14-6-4-3-5-7-14/h3-8,13,19H,2,9-11H2,1H3.
What are the key properties of 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 369.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70745046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).