[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C16H19N5OS — CID 122246463

IUPAC[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C16H19N5OS/c1-11-15(23-10-17-11)16(22)21-8-6-20(7-9-21)14-5-4-13(18-19-14)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyVHMOOLYVNRKMJK-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.08
Rot. Bonds3

About [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 122246463) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID122246463
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C16H19N5OS/c1-11-15(23-10-17-11)16(22)21-8-6-20(7-9-21)14-5-4-13(18-19-14)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyVHMOOLYVNRKMJK-UHFFFAOYSA-N
XLogP2.08
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 122279552
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122348233
3-[2-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 122279486

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 122246463) is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is VHMOOLYVNRKMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-15(23-10-17-11)16(22)21-8-6-20(7-9-21)14-5-4-13(18-19-14)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3.
What are the key properties of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 329.43 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 122246463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).