3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide

C14H12N4OS — CID 106898044

IUPAC3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCc2cccnn2)sc2ccccc12
InChIInChI=1S/C14H12N4OS/c15-12-10-5-1-2-6-11(10)20-13(12)14(19)16-8-9-4-3-7-17-18-9/h1-7H,8,15H2,(H,16,19)
InChIKeyUYDMRXYHMWTZGK-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide

3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 106898044) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID106898044
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NCc2cccnn2)sc2ccccc12
InChIInChI=1S/C14H12N4OS/c15-12-10-5-1-2-6-11(10)20-13(12)14(19)16-8-9-4-3-7-17-18-9/h1-7H,8,15H2,(H,16,19)
InChIKeyUYDMRXYHMWTZGK-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106898056
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
CID 71905421
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 115357356
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide (CID 106898044) is 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NCc2cccnn2)sc2ccccc12.
What is the InChIKey of 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UYDMRXYHMWTZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-12-10-5-1-2-6-11(10)20-13(12)14(19)16-8-9-4-3-7-17-18-9/h1-7H,8,15H2,(H,16,19).
What are the key properties of 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide?
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106898044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).