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

C16H11N5O2S — CID 166331841

IUPAC5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C16H11N5O2S/c1-9-12(18-8-23-9)15(22)20-13-10-5-7-24-16(10)21-14(19-13)11-4-2-3-6-17-11/h2-8H,1H3,(H,19,20,21,22)
InChIKeyRNXVXIFCZLTCPD-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.30
Rot. Bonds3

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

5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 166331841) has the molecular formula C16H11N5O2S and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID166331841
Molecular FormulaC16H11N5O2S
Molecular Weight337.36 g/mol
Exact Mass337.06
IUPAC Name5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C16H11N5O2S/c1-9-12(18-8-23-9)15(22)20-13-10-5-7-24-16(10)21-14(19-13)11-4-2-3-6-17-11/h2-8H,1H3,(H,19,20,21,22)
InChIKeyRNXVXIFCZLTCPD-UHFFFAOYSA-N
XLogP3.30
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide (CID 166331841) is 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is RNXVXIFCZLTCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2S/c1-9-12(18-8-23-9)15(22)20-13-10-5-7-24-16(10)21-14(19-13)11-4-2-3-6-17-11/h2-8H,1H3,(H,19,20,21,22).
What are the key properties of 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166331841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).