N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide

C18H20N6O2S — CID 137029484

IUPACN-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCC(CNc1cc(-c2ccccc2O)nnc1N)NC(=O)c1cncs1
InChIInChI=1S/C18H20N6O2S/c1-2-11(22-18(26)16-9-20-10-27-16)8-21-14-7-13(23-24-17(14)19)12-5-3-4-6-15(12)25/h3-7,9-11,25H,2,8H2,1H3,(H2,19,24)(H,21,23)(H,22,26)
InChIKeyRETXAOMVFJFGFJ-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.51
Rot. Bonds7

About N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide

N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 137029484) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID137029484
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCC(CNc1cc(-c2ccccc2O)nnc1N)NC(=O)c1cncs1
InChIInChI=1S/C18H20N6O2S/c1-2-11(22-18(26)16-9-20-10-27-16)8-21-14-7-13(23-24-17(14)19)12-5-3-4-6-15(12)25/h3-7,9-11,25H,2,8H2,1H3,(H2,19,24)(H,21,23)(H,22,26)
InChIKeyRETXAOMVFJFGFJ-UHFFFAOYSA-N
XLogP2.51
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

US10308614, Example 126
CID 137029379
US10308614, Example 143
CID 137029462
US10308614, Example 138
CID 137029488
N-(3-hydroxy-2,6-dimethylphenyl)-2-[[4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]amino]-1,3-thiazole-5-carboxamide
CID 172310157
2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 136962144
2-[6-Amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol
CID 137029577
[4-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-(hydroxymethyl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 137291346
N-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyrimidin-2-yl]prop-2-ynyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 170628614
2-[[1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide
CID 172309946
2-[[1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide
CID 172309973
2-[[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide
CID 172310012
N-(3-hydroxy-2,6-dimethylphenyl)-2-[(5-methyl-1-propan-2-ylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide
CID 172310072

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 137029484) is N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide is CCC(CNc1cc(-c2ccccc2O)nnc1N)NC(=O)c1cncs1.
What is the InChIKey of N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RETXAOMVFJFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-2-11(22-18(26)16-9-20-10-27-16)8-21-14-7-13(23-24-17(14)19)12-5-3-4-6-15(12)25/h3-7,9-11,25H,2,8H2,1H3,(H2,19,24)(H,21,23)(H,22,26).
What are the key properties of N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide?
N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 137029484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).