5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one

C19H20Cl2N4OS — CID 99804901

IUPAC5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESC[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C19H20Cl2N4OS/c1-11(17-24-15(10-27-17)19(2,3)4)23-14-9-22-25(18(26)16(14)21)13-7-5-12(20)6-8-13/h5-11,23H,1-4H3/t11-/m1/s1
InChIKeyJPDTXJWEIYIHSO-LLVKDONJSA-N
MW423.37 g/mol
LogP5.47
Rot. Bonds4

About 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one

5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 99804901) has the molecular formula C19H20Cl2N4OS and a molecular weight of 423.37 g/mol. Its IUPAC name is 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID99804901
Molecular FormulaC19H20Cl2N4OS
Molecular Weight423.37 g/mol
Exact Mass422.07
IUPAC Name5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESC[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C19H20Cl2N4OS/c1-11(17-24-15(10-27-17)19(2,3)4)23-14-9-22-25(18(26)16(14)21)13-7-5-12(20)6-8-13/h5-11,23H,1-4H3/t11-/m1/s1
InChIKeyJPDTXJWEIYIHSO-LLVKDONJSA-N
XLogP5.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290
4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
CID 133335715
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
CID 78805465
4-chloro-2-phenyl-5-[1-(1-phenyltriazol-4-yl)ethylamino]pyridazin-3-one
CID 133365427
5-[(1-tert-butyl-5-oxopyrrolidin-3-yl)amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 133342273
4-chloro-5-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 99801693
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323547
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
CID 133490811
4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one (CID 99804901) is 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one is C[C@@H](Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is JPDTXJWEIYIHSO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20Cl2N4OS/c1-11(17-24-15(10-27-17)19(2,3)4)23-14-9-22-25(18(26)16(14)21)13-7-5-12(20)6-8-13/h5-11,23H,1-4H3/t11-/m1/s1.
What are the key properties of 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one?
5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 423.37 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 99804901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).