N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide

C12H16N4OS — CID 71072719

IUPACN-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCn1nccc1-c1ccc(C(=O)NCCN)s1
InChIInChI=1S/C12H16N4OS/c1-2-16-9(5-7-15-16)10-3-4-11(18-10)12(17)14-8-6-13/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)
InChIKeyFTGIQYWEFMPYMI-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.32
Rot. Bonds5

About N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide

N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 71072719) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID71072719
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCn1nccc1-c1ccc(C(=O)NCCN)s1
InChIInChI=1S/C12H16N4OS/c1-2-16-9(5-7-15-16)10-3-4-11(18-10)12(17)14-8-6-13/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)
InChIKeyFTGIQYWEFMPYMI-UHFFFAOYSA-N
XLogP1.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide (CID 71072719) is N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide is CCn1nccc1-c1ccc(C(=O)NCCN)s1.
What is the InChIKey of N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is FTGIQYWEFMPYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-16-9(5-7-15-16)10-3-4-11(18-10)12(17)14-8-6-13/h3-5,7H,2,6,8,13H2,1H3,(H,14,17).
What are the key properties of N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide?
N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(2-ethylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71072719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).