1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C19H20N4O2S — CID 2457611

IUPAC1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc3ncnc(N4CCC(C(N)=O)CC4)c23)cc1
InChIInChI=1S/C19H20N4O2S/c1-25-14-4-2-12(3-5-14)15-10-26-19-16(15)18(21-11-22-19)23-8-6-13(7-9-23)17(20)24/h2-5,10-11,13H,6-9H2,1H3,(H2,20,24)
InChIKeyKNAMALUFJRUZRS-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.07
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 2457611) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID2457611
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc3ncnc(N4CCC(C(N)=O)CC4)c23)cc1
InChIInChI=1S/C19H20N4O2S/c1-25-14-4-2-12(3-5-14)15-10-26-19-16(15)18(21-11-22-19)23-8-6-13(7-9-23)17(20)24/h2-5,10-11,13H,6-9H2,1H3,(H2,20,24)
InChIKeyKNAMALUFJRUZRS-UHFFFAOYSA-N
XLogP3.07
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 2457611) is 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is COc1ccc(-c2csc3ncnc(N4CCC(C(N)=O)CC4)c23)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is KNAMALUFJRUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-14-4-2-12(3-5-14)15-10-26-19-16(15)18(21-11-22-19)23-8-6-13(7-9-23)17(20)24/h2-5,10-11,13H,6-9H2,1H3,(H2,20,24).
What are the key properties of 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2457611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).