5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C25H33N5O2S — CID 160527109

IUPAC5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCC(C)n1c(CCN(C)C)nc2sc(N3CCC[C@@H]3C(=O)CCc3ccccc3)nc2c1=O
InChIInChI=1S/C25H33N5O2S/c1-17(2)30-21(14-16-28(3)4)26-23-22(24(30)32)27-25(33-23)29-15-8-11-19(29)20(31)13-12-18-9-6-5-7-10-18/h5-7,9-10,17,19H,8,11-16H2,1-4H3/t19-/m1/s1
InChIKeyQVAYCHHBQXWPTL-LJQANCHMSA-N
MW467.64 g/mol
LogP3.71
Rot. Bonds9

About 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 160527109) has the molecular formula C25H33N5O2S and a molecular weight of 467.64 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID160527109
Molecular FormulaC25H33N5O2S
Molecular Weight467.64 g/mol
Exact Mass467.24
IUPAC Name5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCC(C)n1c(CCN(C)C)nc2sc(N3CCC[C@@H]3C(=O)CCc3ccccc3)nc2c1=O
InChIInChI=1S/C25H33N5O2S/c1-17(2)30-21(14-16-28(3)4)26-23-22(24(30)32)27-25(33-23)29-15-8-11-19(29)20(31)13-12-18-9-6-5-7-10-18/h5-7,9-10,17,19H,8,11-16H2,1-4H3/t19-/m1/s1
InChIKeyQVAYCHHBQXWPTL-LJQANCHMSA-N
XLogP3.71
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one with MolForge

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Related Compounds

5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 157443972
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 158775915
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 160792966
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 153259312
6-cyclopropyl-2-[(2R)-2-[3-(3-fluorophenyl)propanoyl]pyrrolidin-1-yl]-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 161454457
1-[(2R)-1-[7-[2-methoxyethyl(methyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidin-2-yl]-3-phenylpropan-1-one
CID 147279962
3-phenyl-1-[(2R)-1-(7-propyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidin-2-yl]propan-1-one
CID 159476809
7-methyl-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyridin-5-one
CID 159549311
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 148769601
6-[(2,4-dimethoxyphenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 159728097
1-[(2R)-1-[7-ethyl-5-(propan-2-yloxymethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidin-2-yl]-3-phenylpropan-1-one
CID 159506046
2-[(2R)-2-[(3S)-3-phenylbutanoyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 159531323

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 160527109) is 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CC(C)n1c(CCN(C)C)nc2sc(N3CCC[C@@H]3C(=O)CCc3ccccc3)nc2c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is QVAYCHHBQXWPTL-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33N5O2S/c1-17(2)30-21(14-16-28(3)4)26-23-22(24(30)32)27-25(33-23)29-15-8-11-19(29)20(31)13-12-18-9-6-5-7-10-18/h5-7,9-10,17,19H,8,11-16H2,1-4H3/t19-/m1/s1.
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 467.64 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 160527109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).