2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol

C17H20N6OS — CID 137029577

IUPAC2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol
SMILESCCC(CNc1cc(-c2ccccc2O)nnc1N)Nc1nccs1
InChIInChI=1S/C17H20N6OS/c1-2-11(21-17-19-7-8-25-17)10-20-14-9-13(22-23-16(14)18)12-5-3-4-6-15(12)24/h3-9,11,24H,2,10H2,1H3,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyJTBGQUYSMZBWBG-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.19
Rot. Bonds7

About 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol

2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol (PubChem CID 137029577) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol
PubChem CID137029577
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol
SMILESCCC(CNc1cc(-c2ccccc2O)nnc1N)Nc1nccs1
InChIInChI=1S/C17H20N6OS/c1-2-11(21-17-19-7-8-25-17)10-20-14-9-13(22-23-16(14)18)12-5-3-4-6-15(12)24/h3-9,11,24H,2,10H2,1H3,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyJTBGQUYSMZBWBG-UHFFFAOYSA-N
XLogP3.19
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(Pyridin-3-ylamino)-1,3-thiazol-4-yl]phenol
CID 973016
US10308614, Example 93
CID 137029458
2-(6-Amino-5-(8-(thiazol-
CID 137029461
US10308614, Example 138
CID 137029488
US10308614, Example 92
CID 137045936
2-[6-Amino-5-[2-[(5-fluoro-2-pyridinyl)amino]butylamino]pyridazin-3-yl]phenol
CID 137029578
4-fluoro-2-[6-[(3R)-3-[(3-fluorocyclobutyl)amino]pyrrolidin-1-yl]pyridazin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167503445
2-[6-[(3R)-3-[[(1S)-1-cyclopropylethyl]amino]pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167503470
2-[6-[(3R)-3-[[(1R)-1-cyclopropylethyl]amino]pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167503471
2-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167503480
4-fluoro-2-[6-[(3S)-3-[(3-fluorocyclobutyl)amino]pyrrolidin-1-yl]pyridazin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167503492
4-Fluoro-2-[6-[3-[(3-fluorocyclobutyl)amino]pyrrolidin-1-yl]pyridazin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)phenol
CID 167503517

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol (CID 137029577) is 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol is CCC(CNc1cc(-c2ccccc2O)nnc1N)Nc1nccs1.
What is the InChIKey of 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol?
The InChIKey is JTBGQUYSMZBWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-2-11(21-17-19-7-8-25-17)10-20-14-9-13(22-23-16(14)18)12-5-3-4-6-15(12)24/h3-9,11,24H,2,10H2,1H3,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol?
2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol has a molecular weight of 356.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[2-(1,3-thiazol-2-ylamino)butylamino]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).