(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C20H23N5O2S — CID 129076249

IUPAC(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCOCCc1ncnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C20H23N5O2S/c1-27-11-9-15-17-18(23-13-22-15)24-20(28-17)25-10-5-8-16(25)19(26)21-12-14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,21,26)/t16-/m1/s1
InChIKeyXBQXQQNIEIRCNV-MRXNPFEDSA-N
MW397.50 g/mol
LogP2.56
Rot. Bonds7

About (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 129076249) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID129076249
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCOCCc1ncnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C20H23N5O2S/c1-27-11-9-15-17-18(23-13-22-15)24-20(28-17)25-10-5-8-16(25)19(26)21-12-14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,21,26)/t16-/m1/s1
InChIKeyXBQXQQNIEIRCNV-MRXNPFEDSA-N
XLogP2.56
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-benzyl-1-[7-ethyl-5-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355493
N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319476
(2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355702
N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319603
(2R)-N-benzyl-1-[7-(cyclopropylmethoxy)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355730
(2R)-N-benzyl-1-[7-(1-methylazetidin-3-yl)oxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 135319632
N-benzyl-1-[7-ethyl-5-(triazol-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 135319755
3-phenyl-1-[(2R)-1-(7-propyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidin-2-yl]propan-1-one
CID 159476809
(2R)-N-benzyl-1-(6-ethyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 139355638
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
(2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 135319607
N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 135319718

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 129076249) is (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is COCCc1ncnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc12.
What is the InChIKey of (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is XBQXQQNIEIRCNV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-27-11-9-15-17-18(23-13-22-15)24-20(28-17)25-10-5-8-16(25)19(26)21-12-14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,21,26)/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129076249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).