3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide

C15H16N4OS — CID 106106547

IUPAC3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2sc3ccccc3c2N)n1
InChIInChI=1S/C15H16N4OS/c1-19-9-7-10(18-19)6-8-17-15(20)14-13(16)11-4-2-3-5-12(11)21-14/h2-5,7,9H,6,8,16H2,1H3,(H,17,20)
InChIKeyNEVOJJYLCFMUOI-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide

3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 106106547) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID106106547
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2sc3ccccc3c2N)n1
InChIInChI=1S/C15H16N4OS/c1-19-9-7-10(18-19)6-8-17-15(20)14-13(16)11-4-2-3-5-12(11)21-14/h2-5,7,9H,6,8,16H2,1H3,(H,17,20)
InChIKeyNEVOJJYLCFMUOI-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 19330972
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103852
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzothiophene-2-carboxamide
CID 114469852
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-1-benzothiophene-2-carboxamide
CID 106050602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 106106547) is 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide is Cn1ccc(CCNC(=O)c2sc3ccccc3c2N)n1.
What is the InChIKey of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NEVOJJYLCFMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-19-9-7-10(18-19)6-8-17-15(20)14-13(16)11-4-2-3-5-12(11)21-14/h2-5,7,9H,6,8,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide?
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106106547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).