N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide

C17H16N4O2S — CID 122298901

IUPACN-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1cc2ccccc2s1
InChIInChI=1S/C17H16N4O2S/c22-16(15-9-12-3-1-2-4-14(12)24-15)20-13-10-18-17(19-11-13)21-5-7-23-8-6-21/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyQLCYREYUUPRVCW-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.78
Rot. Bonds3

About N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide

N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 122298901) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID122298901
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCOCC2)nc1)c1cc2ccccc2s1
InChIInChI=1S/C17H16N4O2S/c22-16(15-9-12-3-1-2-4-14(12)24-15)20-13-10-18-17(19-11-13)21-5-7-23-8-6-21/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyQLCYREYUUPRVCW-UHFFFAOYSA-N
XLogP2.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 30771170
2-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299045
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 62900750
N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 122254849
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122298854
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide (CID 122298901) is N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1cnc(N2CCOCC2)nc1)c1cc2ccccc2s1.
What is the InChIKey of N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is QLCYREYUUPRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(15-9-12-3-1-2-4-14(12)24-15)20-13-10-18-17(19-11-13)21-5-7-23-8-6-21/h1-4,9-11H,5-8H2,(H,20,22).
What are the key properties of N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide?
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122298901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).