[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone

C19H20N6O2S — CID 137029488

IUPAC[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cncs1
InChIInChI=1S/C19H20N6O2S/c1-12-10-24(6-7-25(12)19(27)17-9-21-11-28-17)15-8-14(22-23-18(15)20)13-4-2-3-5-16(13)26/h2-5,8-9,11-12,26H,6-7,10H2,1H3,(H2,20,23)
InChIKeyPTYLPTAZYUKCTI-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.24
Rot. Bonds3

About [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone

[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 137029488) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID137029488
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cncs1
InChIInChI=1S/C19H20N6O2S/c1-12-10-24(6-7-25(12)19(27)17-9-21-11-28-17)15-8-14(22-23-18(15)20)13-4-2-3-5-16(13)26/h2-5,8-9,11-12,26H,6-7,10H2,1H3,(H2,20,23)
InChIKeyPTYLPTAZYUKCTI-UHFFFAOYSA-N
XLogP2.24
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10308614, Example 126
CID 137029379
2-(6-Amino-5-(8-(thiazol-
CID 137029461
US10308614, Example 143
CID 137029462
US10308614, Example 135
CID 137029524
US10308614, Example 156
CID 137029552
US10308614, Example 155
CID 137029583
2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-[(2S)-1-[(2S,4R)-4-fluoro-2-[1-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]amino]ethenyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 160086567
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 24963238
N-[1-[[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]amino]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 137029484
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
(2S)-1-[(2S)-2-[[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 156168697

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 137029488) is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone is CC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1cncs1.
What is the InChIKey of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is PTYLPTAZYUKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12-10-24(6-7-25(12)19(27)17-9-21-11-28-17)15-8-14(22-23-18(15)20)13-4-2-3-5-16(13)26/h2-5,8-9,11-12,26H,6-7,10H2,1H3,(H2,20,23).
What are the key properties of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 396.48 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 137029488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).