2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide

C23H23N5O2S — CID 51649390

IUPAC2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESCCc1nn2c(=O)cc(CNc3ccccc3C(=O)N[C@H](C)c3ccccc3)nc2s1
InChIInChI=1S/C23H23N5O2S/c1-3-20-27-28-21(29)13-17(26-23(28)31-20)14-24-19-12-8-7-11-18(19)22(30)25-15(2)16-9-5-4-6-10-16/h4-13,15,24H,3,14H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyVRFBJYFITVODDZ-OAHLLOKOSA-N
MW433.54 g/mol
LogP3.82
Rot. Bonds7

About 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide

2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 51649390) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID51649390
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESCCc1nn2c(=O)cc(CNc3ccccc3C(=O)N[C@H](C)c3ccccc3)nc2s1
InChIInChI=1S/C23H23N5O2S/c1-3-20-27-28-21(29)13-17(26-23(28)31-20)14-24-19-12-8-7-11-18(19)22(30)25-15(2)16-9-5-4-6-10-16/h4-13,15,24H,3,14H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyVRFBJYFITVODDZ-OAHLLOKOSA-N
XLogP3.82
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-(1-phenylethyl)benzamide
CID 47013592
2-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 56504250
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-chlorobenzoyl)amino]benzoate
CID 46343310
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-phenylpropanoylamino)benzoate
CID 20953037
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-chlorobenzoyl)amino]benzoate
CID 46343320
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzylbenzoate
CID 7631073
2-(ethylamino)-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
CID 81368098
2-chloro-N-[4-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 46258363
7-ethyl-2-(2-phenylsulfanylpropylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133324724
2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 70745046

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide (CID 51649390) is 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide is CCc1nn2c(=O)cc(CNc3ccccc3C(=O)N[C@H](C)c3ccccc3)nc2s1.
What is the InChIKey of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is VRFBJYFITVODDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-3-20-27-28-21(29)13-17(26-23(28)31-20)14-24-19-12-8-7-11-18(19)22(30)25-15(2)16-9-5-4-6-10-16/h4-13,15,24H,3,14H2,1-2H3,(H,25,30)/t15-/m1/s1.
What are the key properties of 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide?
2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 433.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 51649390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).