(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C12H12ClN5OS — CID 60858865

IUPAC(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H12ClN5OS/c13-10-2-1-9(15-16-10)11(19)17-4-6-18(7-5-17)12-14-3-8-20-12/h1-3,8H,4-7H2
InChIKeyWSZJYNKIFLIQBG-UHFFFAOYSA-N
MW309.78 g/mol
LogP1.55
Rot. Bonds2

About (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 60858865) has the molecular formula C12H12ClN5OS and a molecular weight of 309.78 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID60858865
Molecular FormulaC12H12ClN5OS
Molecular Weight309.78 g/mol
Exact Mass309.05
IUPAC Name(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nn1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H12ClN5OS/c13-10-2-1-9(15-16-10)11(19)17-4-6-18(7-5-17)12-14-3-8-20-12/h1-3,8H,4-7H2
InChIKeyWSZJYNKIFLIQBG-UHFFFAOYSA-N
XLogP1.55
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-hydrazinylpyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62233763
(6-chloropyrazin-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103186918
(4-chloro-1H-pyrrol-2-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18143112
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 37026329
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
(6-chloropyridazin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61042497
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 60858865) is (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)nn1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is WSZJYNKIFLIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5OS/c13-10-2-1-9(15-16-10)11(19)17-4-6-18(7-5-17)12-14-3-8-20-12/h1-3,8H,4-7H2.
What are the key properties of (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 309.78 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 60858865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).