N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide

C16H12N4O4S — CID 171775860

IUPACN-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C1CCC(NC(=O)c2nc(-c3ccco3)nc3ccsc23)C(=O)N1
InChIInChI=1S/C16H12N4O4S/c21-11-4-3-9(15(22)19-11)18-16(23)12-13-8(5-7-25-13)17-14(20-12)10-2-1-6-24-10/h1-2,5-7,9H,3-4H2,(H,18,23)(H,19,21,22)
InChIKeyQRHOSMQIBUDNGU-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.49
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide

N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 171775860) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID171775860
Molecular FormulaC16H12N4O4S
Molecular Weight356.36 g/mol
Exact Mass356.06
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C1CCC(NC(=O)c2nc(-c3ccco3)nc3ccsc23)C(=O)N1
InChIInChI=1S/C16H12N4O4S/c21-11-4-3-9(15(22)19-11)18-16(23)12-13-8(5-7-25-13)17-14(20-12)10-2-1-6-24-10/h1-2,5-7,9H,3-4H2,(H,18,23)(H,19,21,22)
InChIKeyQRHOSMQIBUDNGU-UHFFFAOYSA-N
XLogP1.49
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide (CID 171775860) is N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide is O=C1CCC(NC(=O)c2nc(-c3ccco3)nc3ccsc23)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is QRHOSMQIBUDNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c21-11-4-3-9(15(22)19-11)18-16(23)12-13-8(5-7-25-13)17-14(20-12)10-2-1-6-24-10/h1-2,5-7,9H,3-4H2,(H,18,23)(H,19,21,22).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-(furan-2-yl)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 171775860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).