3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide

C15H16N4OS — CID 107932194

IUPAC3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2sc3ccc(C)cc3c2N)cn1
InChIInChI=1S/C15H16N4OS/c1-3-19-8-10(7-17-19)18-15(20)14-13(16)11-6-9(2)4-5-12(11)21-14/h4-8H,3,16H2,1-2H3,(H,18,20)
InChIKeyIROHSEIKIYINDX-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932194) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932194
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2sc3ccc(C)cc3c2N)cn1
InChIInChI=1S/C15H16N4OS/c1-3-19-8-10(7-17-19)18-15(20)14-13(16)11-6-9(2)4-5-12(11)21-14/h4-8H,3,16H2,1-2H3,(H,18,20)
InChIKeyIROHSEIKIYINDX-UHFFFAOYSA-N
XLogP3.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932262
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107932277
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932194) is 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide is CCn1cc(NC(=O)c2sc3ccc(C)cc3c2N)cn1.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IROHSEIKIYINDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-19-8-10(7-17-19)18-15(20)14-13(16)11-6-9(2)4-5-12(11)21-14/h4-8H,3,16H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).