N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide

C20H14ClN5OS — CID 11675883

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Nc2ccnnc2)cc1
InChIInChI=1S/C20H14ClN5OS/c21-15-5-1-13(2-6-15)18-12-28-20(25-18)26-19(27)14-3-7-16(8-4-14)24-17-9-10-22-23-11-17/h1-12H,(H,22,24)(H,25,26,27)
InChIKeyJLBQLIKPFZZUTC-UHFFFAOYSA-N
MW407.89 g/mol
LogP5.25
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide (PubChem CID 11675883) has the molecular formula C20H14ClN5OS and a molecular weight of 407.89 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide
PubChem CID11675883
Molecular FormulaC20H14ClN5OS
Molecular Weight407.89 g/mol
Exact Mass407.06
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Nc2ccnnc2)cc1
InChIInChI=1S/C20H14ClN5OS/c21-15-5-1-13(2-6-15)18-12-28-20(25-18)26-19(27)14-3-7-16(8-4-14)24-17-9-10-22-23-11-17/h1-12H,(H,22,24)(H,25,26,27)
InChIKeyJLBQLIKPFZZUTC-UHFFFAOYSA-N
XLogP5.25
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.89
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
N-(4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridazin-4-ylamino)benzamide
CID 11525415
N-(4-(3,4-dichlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11532298
N-(4-(4-chloro-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11582671
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridazin-4-ylamino)benzamide
CID 11590685
N-(4-(3-chloro-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11604285
N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11626389
N-(4-(4-chlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11661454
N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyridazin-4-ylamino)benzamide
CID 11675904
1-(3-chlorophenyl)-5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32002691
N-(4-(3-chlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11538742
N-(4-(2,3-dichlorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11554024

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide (CID 11675883) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Nc2ccnnc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide?
The InChIKey is JLBQLIKPFZZUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5OS/c21-15-5-1-13(2-6-15)18-12-28-20(25-18)26-19(27)14-3-7-16(8-4-14)24-17-9-10-22-23-11-17/h1-12H,(H,22,24)(H,25,26,27).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide has a molecular weight of 407.89 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(pyridazin-4-ylamino)benzamide is sourced from PubChem (CID 11675883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).