5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide

C18H13N5O2S — CID 166331884

IUPAC5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ncoc1C1CC1
InChIInChI=1S/C18H13N5O2S/c24-17(13-14(10-4-5-10)25-9-20-13)22-15-11-6-8-26-18(11)23-16(21-15)12-3-1-2-7-19-12/h1-3,6-10H,4-5H2,(H,21,22,23,24)
InChIKeyXSWHIONVSOVEMT-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.87
Rot. Bonds4

About 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 166331884) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID166331884
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ncoc1C1CC1
InChIInChI=1S/C18H13N5O2S/c24-17(13-14(10-4-5-10)25-9-20-13)22-15-11-6-8-26-18(11)23-16(21-15)12-3-1-2-7-19-12/h1-3,6-10H,4-5H2,(H,21,22,23,24)
InChIKeyXSWHIONVSOVEMT-UHFFFAOYSA-N
XLogP3.87
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide (CID 166331884) is 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is XSWHIONVSOVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c24-17(13-14(10-4-5-10)25-9-20-13)22-15-11-6-8-26-18(11)23-16(21-15)12-3-1-2-7-19-12/h1-3,6-10H,4-5H2,(H,21,22,23,24).
What are the key properties of 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166331884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).