[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C16H17N7OS — CID 90539491

IUPAC[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cs1
InChIInChI=1S/C16H17N7OS/c1-12-18-13(10-25-12)16(24)22-8-6-21(7-9-22)14-2-3-15(20-19-14)23-5-4-17-11-23/h2-5,10-11H,6-9H2,1H3
InChIKeyLAWJKWDQTRTJEA-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.39
Rot. Bonds3

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

[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 90539491) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID90539491
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cs1
InChIInChI=1S/C16H17N7OS/c1-12-18-13(10-25-12)16(24)22-8-6-21(7-9-22)14-2-3-15(20-19-14)23-5-4-17-11-23/h2-5,10-11H,6-9H2,1H3
InChIKeyLAWJKWDQTRTJEA-UHFFFAOYSA-N
XLogP1.39
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539451
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539357
(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632686
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 90539554
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122338506
6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90539348
2-(3,5-dimethylphenoxy)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 90539426
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973

Frequently Asked Questions

What is the IUPAC name of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 90539491) is [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cs1.
What is the InChIKey of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is LAWJKWDQTRTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-12-18-13(10-25-12)16(24)22-8-6-21(7-9-22)14-2-3-15(20-19-14)23-5-4-17-11-23/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 355.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 90539491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).