N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide

C13H11N3O3S — CID 17451363

IUPACN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3ccco3)cnc2s1
InChIInChI=1S/C13H11N3O3S/c1-2-8-6-9-12(20-8)14-7-16(13(9)18)15-11(17)10-4-3-5-19-10/h3-7H,2H2,1H3,(H,15,17)
InChIKeyMEVSHTDVMGBYDA-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.00
Rot. Bonds3

About N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide (PubChem CID 17451363) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
PubChem CID17451363
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3ccco3)cnc2s1
InChIInChI=1S/C13H11N3O3S/c1-2-8-6-9-12(20-8)14-7-16(13(9)18)15-11(17)10-4-3-5-19-10/h3-7H,2H2,1H3,(H,15,17)
InChIKeyMEVSHTDVMGBYDA-UHFFFAOYSA-N
XLogP2.00
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24539021
4-(difluoromethoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 8912423
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 24539076
2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24538992
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42888913
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24539050
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 8001763
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8912583
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24538982
3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24539102
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24539119

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
The IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide (CID 17451363) is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide is CCc1cc2c(=O)n(NC(=O)c3ccco3)cnc2s1.
What is the InChIKey of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
The InChIKey is MEVSHTDVMGBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-2-8-6-9-12(20-8)14-7-16(13(9)18)15-11(17)10-4-3-5-19-10/h3-7H,2H2,1H3,(H,15,17).
What are the key properties of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide?
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 17451363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).