N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

C18H21N5O2S — CID 47089198

IUPACN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc2c(N3CCC(NC(=O)c4cc(C)no4)CC3)ncnc2s1
InChIInChI=1S/C18H21N5O2S/c1-3-13-9-14-16(19-10-20-18(14)26-13)23-6-4-12(5-7-23)21-17(24)15-8-11(2)22-25-15/h8-10,12H,3-7H2,1-2H3,(H,21,24)
InChIKeyAEXBFOGCFKNWCK-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.95
Rot. Bonds4

About N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47089198) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47089198
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc2c(N3CCC(NC(=O)c4cc(C)no4)CC3)ncnc2s1
InChIInChI=1S/C18H21N5O2S/c1-3-13-9-14-16(19-10-20-18(14)26-13)23-6-4-12(5-7-23)21-17(24)15-8-11(2)22-25-15/h8-10,12H,3-7H2,1-2H3,(H,21,24)
InChIKeyAEXBFOGCFKNWCK-UHFFFAOYSA-N
XLogP2.95
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47089198) is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is CCc1cc2c(N3CCC(NC(=O)c4cc(C)no4)CC3)ncnc2s1.
What is the InChIKey of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is AEXBFOGCFKNWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-3-13-9-14-16(19-10-20-18(14)26-13)23-6-4-12(5-7-23)21-17(24)15-8-11(2)22-25-15/h8-10,12H,3-7H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47089198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).