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

C16H9F2N5O2S — CID 167897284

IUPAC4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ocnc1C(F)F
InChIInChI=1S/C16H9F2N5O2S/c17-12(18)10-11(25-7-20-10)15(24)22-13-8-4-6-26-16(8)23-14(21-13)9-3-1-2-5-19-9/h1-7,12H,(H,21,22,23,24)
InChIKeyROEQDWLKDGJDBO-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.93
Rot. Bonds4

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

4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide (PubChem CID 167897284) has the molecular formula C16H9F2N5O2S and a molecular weight of 373.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide
PubChem CID167897284
Molecular FormulaC16H9F2N5O2S
Molecular Weight373.34 g/mol
Exact Mass373.04
IUPAC Name4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ocnc1C(F)F
InChIInChI=1S/C16H9F2N5O2S/c17-12(18)10-11(25-7-20-10)15(24)22-13-8-4-6-26-16(8)23-14(21-13)9-3-1-2-5-19-9/h1-7,12H,(H,21,22,23,24)
InChIKeyROEQDWLKDGJDBO-UHFFFAOYSA-N
XLogP3.93
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide (CID 167897284) is 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide is O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ocnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is ROEQDWLKDGJDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N5O2S/c17-12(18)10-11(25-7-20-10)15(24)22-13-8-4-6-26-16(8)23-14(21-13)9-3-1-2-5-19-9/h1-7,12H,(H,21,22,23,24).
What are the key properties of 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide?
4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 167897284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).