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

C19H17F3N4O2S — CID 160792966

IUPAC2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESO=C(CCc1ccccc1)[C@H]1CCCN1c1nc2c(=O)[nH]c(C(F)(F)F)nc2s1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)17-24-15(28)14-16(25-17)29-18(23-14)26-10-4-7-12(26)13(27)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,24,25,28)/t12-/m1/s1
InChIKeySCBHELINNYZCNP-GFCCVEGCSA-N
MW422.43 g/mol
LogP3.57
Rot. Bonds5

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

2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 160792966) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID160792966
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESO=C(CCc1ccccc1)[C@H]1CCCN1c1nc2c(=O)[nH]c(C(F)(F)F)nc2s1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)17-24-15(28)14-16(25-17)29-18(23-14)26-10-4-7-12(26)13(27)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,24,25,28)/t12-/m1/s1
InChIKeySCBHELINNYZCNP-GFCCVEGCSA-N
XLogP3.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-[(3S)-3-phenylbutanoyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 159531323
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]-6-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 153259312
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
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-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 166172003
7-methyl-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyridin-5-one
CID 159549311
3-phenyl-1-[(2R)-1-(7-propyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidin-2-yl]propan-1-one
CID 159476809
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 148769601
7-methyl-2-[(2R)-2-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 147987489
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 160792966) is 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is O=C(CCc1ccccc1)[C@H]1CCCN1c1nc2c(=O)[nH]c(C(F)(F)F)nc2s1.
What is the InChIKey of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is SCBHELINNYZCNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c20-19(21,22)17-24-15(28)14-16(25-17)29-18(23-14)26-10-4-7-12(26)13(27)9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,24,25,28)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 422.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 160792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).