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

C19H21N5O2S — CID 135319476

IUPACN-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1ncnc2nc(N3CCCC3C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C19H21N5O2S/c1-2-26-18-15-16(21-12-22-18)23-19(27-15)24-10-6-9-14(24)17(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,20,25)
InChIKeyUJHXRJBPJINQCT-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.77
Rot. Bonds6

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

N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 135319476) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID135319476
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1ncnc2nc(N3CCCC3C(=O)NCc3ccccc3)sc12
InChIInChI=1S/C19H21N5O2S/c1-2-26-18-15-16(21-12-22-18)23-19(27-15)24-10-6-9-14(24)17(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,20,25)
InChIKeyUJHXRJBPJINQCT-UHFFFAOYSA-N
XLogP2.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(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-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 129076249
(2R)-N-benzyl-1-(6-ethyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 139355638
N-benzyl-1-[7-ethyl-5-(triazol-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 135319755
(2R)-N-benzyl-1-[7-ethyl-5-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355493
(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
(2R)-N-benzyl-1-(7-cyclopropyl-5-pyridin-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 139355461
3-phenyl-1-[(2R)-1-(7-propyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidin-2-yl]propan-1-one
CID 159476809
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 N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 135319476) is N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is CCOc1ncnc2nc(N3CCCC3C(=O)NCc3ccccc3)sc12.
What is the InChIKey of N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is UJHXRJBPJINQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-2-26-18-15-16(21-12-22-18)23-19(27-15)24-10-6-9-14(24)17(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,20,25).
What are the key properties of N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 135319476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).