(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C21H22N4O2S — CID 51496256

IUPAC(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C21H22N4O2S/c1-13(20(26)23-17-9-4-7-14-6-2-3-8-15(14)17)25-21(27)16(22)12-18(24-25)19-10-5-11-28-19/h4-5,7,9-13H,2-3,6,8,22H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyFWVYFOUYRKFOPC-ZDUSSCGKSA-N
MW394.50 g/mol
LogP3.63
Rot. Bonds4

About (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 51496256) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID51496256
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C21H22N4O2S/c1-13(20(26)23-17-9-4-7-14-6-2-3-8-15(14)17)25-21(27)16(22)12-18(24-25)19-10-5-11-28-19/h4-5,7,9-13H,2-3,6,8,22H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyFWVYFOUYRKFOPC-ZDUSSCGKSA-N
XLogP3.63
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 51496256) is (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is C[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is FWVYFOUYRKFOPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13(20(26)23-17-9-4-7-14-6-2-3-8-15(14)17)25-21(27)16(22)12-18(24-25)19-10-5-11-28-19/h4-5,7,9-13H,2-3,6,8,22H2,1H3,(H,23,26)/t13-/m0/s1.
What are the key properties of (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
(2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 394.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 51496256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).