4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

C21H20N6O2S2 — CID 137429669

IUPAC4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1cncs1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C21H20N6O2S2/c28-20(24-6-4-14-11-22-13-31-14)15-12-30-21-17(15)19(27-7-9-29-10-8-27)25-18(26-21)16-3-1-2-5-23-16/h1-3,5,11-13H,4,6-10H2,(H,24,28)
InChIKeyJRUTXPWLSHPURM-UHFFFAOYSA-N
MW452.57 g/mol
LogP3.02
Rot. Bonds6

About 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429669) has the molecular formula C21H20N6O2S2 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429669
Molecular FormulaC21H20N6O2S2
Molecular Weight452.57 g/mol
Exact Mass452.11
IUPAC Name4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1cncs1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C21H20N6O2S2/c28-20(24-6-4-14-11-22-13-31-14)15-12-30-21-17(15)19(27-7-9-29-10-8-27)25-18(26-21)16-3-1-2-5-23-16/h1-3,5,11-13H,4,6-10H2,(H,24,28)
InChIKeyJRUTXPWLSHPURM-UHFFFAOYSA-N
XLogP3.02
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 137429669) is 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is O=C(NCCc1cncs1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JRUTXPWLSHPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S2/c28-20(24-6-4-14-11-22-13-31-14)15-12-30-21-17(15)19(27-7-9-29-10-8-27)25-18(26-21)16-3-1-2-5-23-16/h1-3,5,11-13H,4,6-10H2,(H,24,28).
What are the key properties of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 452.57 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).