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

C18H15N5O2S — CID 166331867

IUPAC5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C18H15N5O2S/c1-10(2)14-13(20-9-25-14)17(24)22-15-11-6-8-26-18(11)23-16(21-15)12-5-3-4-7-19-12/h3-10H,1-2H3,(H,21,22,23,24)
InChIKeyFSXIAFIKRRQEMC-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.12
Rot. Bonds4

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

5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 166331867) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID166331867
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C18H15N5O2S/c1-10(2)14-13(20-9-25-14)17(24)22-15-11-6-8-26-18(11)23-16(21-15)12-5-3-4-7-19-12/h3-10H,1-2H3,(H,21,22,23,24)
InChIKeyFSXIAFIKRRQEMC-UHFFFAOYSA-N
XLogP4.12
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide (CID 166331867) is 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is FSXIAFIKRRQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-10(2)14-13(20-9-25-14)17(24)22-15-11-6-8-26-18(11)23-16(21-15)12-5-3-4-7-19-12/h3-10H,1-2H3,(H,21,22,23,24).
What are the key properties of 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide?
5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166331867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).