2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

C19H19N5O2S — CID 7519581

IUPAC2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)N1CCOCC1
InChIInChI=1S/C19H19N5O2S/c25-19(23-9-11-26-12-10-23)13-27-18-6-5-17(21-22-18)15-1-3-16(4-2-15)24-8-7-20-14-24/h1-8,14H,9-13H2
InChIKeyRHLLBOIPNOELBD-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.28
Rot. Bonds5

About 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 7519581) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID7519581
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)N1CCOCC1
InChIInChI=1S/C19H19N5O2S/c25-19(23-9-11-26-12-10-23)13-27-18-6-5-17(21-22-18)15-1-3-16(4-2-15)24-8-7-20-14-24/h1-8,14H,9-13H2
InChIKeyRHLLBOIPNOELBD-UHFFFAOYSA-N
XLogP2.28
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
CID 7206160
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 42887582
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 16822523
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41005994
ethyl 4-[2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 41006015
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 16832574
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 42663321
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-imidazol-1-ylphenyl)pyridazine
CID 41005997
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 41254072
(4-imidazol-1-yl-2-pyridinyl)-morpholin-4-ylmethanone
CID 71801444
[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 6402585

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (CID 7519581) is 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)N1CCOCC1.
What is the InChIKey of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is RHLLBOIPNOELBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-19(23-9-11-26-12-10-23)13-27-18-6-5-17(21-22-18)15-1-3-16(4-2-15)24-8-7-20-14-24/h1-8,14H,9-13H2.
What are the key properties of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 381.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 7519581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).