2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H16N6OS — CID 133327875

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCN(C)c1cc(CNc2nn3c(=O)ccnc3s2)c2ccccc2n1
InChIInChI=1S/C17H16N6OS/c1-22(2)14-9-11(12-5-3-4-6-13(12)20-14)10-19-16-21-23-15(24)7-8-18-17(23)25-16/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWXXAVEPCMCSBRF-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.38
Rot. Bonds4

About 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133327875) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133327875
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCN(C)c1cc(CNc2nn3c(=O)ccnc3s2)c2ccccc2n1
InChIInChI=1S/C17H16N6OS/c1-22(2)14-9-11(12-5-3-4-6-13(12)20-14)10-19-16-21-23-15(24)7-8-18-17(23)25-16/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWXXAVEPCMCSBRF-UHFFFAOYSA-N
XLogP2.38
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

2-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47087219
2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133287002
methyl 4-chloro-2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 133327857
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
2-(benzylamino)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147077
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
2-(2-hydroxyethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 131160530
2-[2-(tert-butylamino)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133276298
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
CID 111478646
2-[[(1R)-3,3-dimethyl-1-phenylbutyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 95636435
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133327875) is 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CN(C)c1cc(CNc2nn3c(=O)ccnc3s2)c2ccccc2n1.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WXXAVEPCMCSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-22(2)14-9-11(12-5-3-4-6-13(12)20-14)10-19-16-21-23-15(24)7-8-18-17(23)25-16/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 352.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133327875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).