2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one

C13H13N5O3S — CID 134160727

IUPAC2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3nccs3)C(=O)C2)ccc1=O
InChIInChI=1S/C13H13N5O3S/c1-16-10(19)3-2-9(15-16)12(21)17-5-6-18(11(20)8-17)13-14-4-7-22-13/h2-4,7H,5-6,8H2,1H3
InChIKeyLQKDXLOUHAXSLV-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.27
Rot. Bonds2

About 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 134160727) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID134160727
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(c3nccs3)C(=O)C2)ccc1=O
InChIInChI=1S/C13H13N5O3S/c1-16-10(19)3-2-9(15-16)12(21)17-5-6-18(11(20)8-17)13-14-4-7-22-13/h2-4,7H,5-6,8H2,1H3
InChIKeyLQKDXLOUHAXSLV-UHFFFAOYSA-N
XLogP-0.27
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705
1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 134160669
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121017174
N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134161199
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134161279
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
CID 121190992
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one (CID 134160727) is 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCN(c3nccs3)C(=O)C2)ccc1=O.
What is the InChIKey of 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is LQKDXLOUHAXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-16-10(19)3-2-9(15-16)12(21)17-5-6-18(11(20)8-17)13-14-4-7-22-13/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 319.35 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 134160727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).