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

C17H22N6O2S — CID 122335319

IUPAC(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C17H22N6O2S/c1-13-16(26-12-18-13)17(24)23-6-4-21(5-7-23)14-2-3-15(20-19-14)22-8-10-25-11-9-22/h2-3,12H,4-11H2,1H3
InChIKeyVTJABBNVOBNUEO-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.04
Rot. Bonds3

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

(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122335319) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122335319
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C17H22N6O2S/c1-13-16(26-12-18-13)17(24)23-6-4-21(5-7-23)14-2-3-15(20-19-14)22-8-10-25-11-9-22/h2-3,12H,4-11H2,1H3
InChIKeyVTJABBNVOBNUEO-UHFFFAOYSA-N
XLogP1.04
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122246463
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
(4-bromothiophen-2-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335278
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47281792
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867063
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
CID 61130893
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121053966

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122335319) is (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ncsc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is VTJABBNVOBNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-13-16(26-12-18-13)17(24)23-6-4-21(5-7-23)14-2-3-15(20-19-14)22-8-10-25-11-9-22/h2-3,12H,4-11H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 374.47 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122335319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).