3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide

C15H16N4OS — CID 107932262

IUPAC3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCn3cccn3)c(N)c2c1
InChIInChI=1S/C15H16N4OS/c1-10-3-4-12-11(9-10)13(16)14(21-12)15(20)17-6-8-19-7-2-5-18-19/h2-5,7,9H,6,8,16H2,1H3,(H,17,20)
InChIKeyNNJPCFNTGUQDPX-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 107932262) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID107932262
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCn3cccn3)c(N)c2c1
InChIInChI=1S/C15H16N4OS/c1-10-3-4-12-11(9-10)13(16)14(21-12)15(20)17-6-8-19-7-2-5-18-19/h2-5,7,9H,6,8,16H2,1H3,(H,17,20)
InChIKeyNNJPCFNTGUQDPX-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932194
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107932277
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
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-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide (CID 107932262) is 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NCCn3cccn3)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NNJPCFNTGUQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-3-4-12-11(9-10)13(16)14(21-12)15(20)17-6-8-19-7-2-5-18-19/h2-5,7,9H,6,8,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).