N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide

C11H11N3O2S — CID 122301798

IUPACN-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
SMILESCCOc1ncc(NC(=O)c2cccs2)cn1
InChIInChI=1S/C11H11N3O2S/c1-2-16-11-12-6-8(7-13-11)14-10(15)9-4-3-5-17-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeySBHLCXQJAGCXOA-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.19
Rot. Bonds4

About N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide

N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 122301798) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID122301798
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
SMILESCCOc1ncc(NC(=O)c2cccs2)cn1
InChIInChI=1S/C11H11N3O2S/c1-2-16-11-12-6-8(7-13-11)14-10(15)9-4-3-5-17-9/h3-7H,2H2,1H3,(H,14,15)
InChIKeySBHLCXQJAGCXOA-UHFFFAOYSA-N
XLogP2.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-ethoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]thiophene-2-carboxamide
CID 1026988
N-[3-[(2-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 31516964
N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
CID 122301792
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
2-(dipropylamino)-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid
CID 53094042

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide (CID 122301798) is N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide is CCOc1ncc(NC(=O)c2cccs2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is SBHLCXQJAGCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-16-11-12-6-8(7-13-11)14-10(15)9-4-3-5-17-9/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide?
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 122301798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).